N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

C56H68N22OS3 — CID 158518335

IUPACN-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCCN1CCN(c2cc(Nc3ncc(-c4ccccn4)s3)nc(C)n2)CC1.CCN1CCN(c2cc(Nc3ncc(-c4cncnc4)s3)nc(C)n2)CC1.Cc1nc(Nc2ncc(-c3cccnc3)s2)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C19H23N7OS.C19H23N7S.C18H22N8S/c1-14-22-17(11-18(23-14)26-7-5-25(6-8-26)9-10-27)24-19-21-13-16(28-19)15-3-2-4-20-12-15;1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-6-4-5-7-20-15;1-3-25-4-6-26(7-5-25)17-8-16(22-13(2)23-17)24-18-21-11-15(27-18)14-9-19-12-20-10-14/h2-4,11-13,27H,5-10H2,1H3,(H,21,22,23,24);4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24);8-12H,3-7H2,1-2H3,(H,21,22,23,24)
InChIKeyHLXDAODABCJWRR-UHFFFAOYSA-N
MW1161.51 g/mol
LogP7.93
Rot. Bonds16

About N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 158518335) has the molecular formula C56H68N22OS3 and a molecular weight of 1161.51 g/mol. Its IUPAC name is N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound NameN-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID158518335
Molecular FormulaC56H68N22OS3
Molecular Weight1161.51 g/mol
Exact Mass1160.51
IUPAC NameN-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCCN1CCN(c2cc(Nc3ncc(-c4ccccn4)s3)nc(C)n2)CC1.CCN1CCN(c2cc(Nc3ncc(-c4cncnc4)s3)nc(C)n2)CC1.Cc1nc(Nc2ncc(-c3cccnc3)s2)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C19H23N7OS.C19H23N7S.C18H22N8S/c1-14-22-17(11-18(23-14)26-7-5-25(6-8-26)9-10-27)24-19-21-13-16(28-19)15-3-2-4-20-12-15;1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-6-4-5-7-20-15;1-3-25-4-6-26(7-5-25)17-8-16(22-13(2)23-17)24-18-21-11-15(27-18)14-9-19-12-20-10-14/h2-4,11-13,27H,5-10H2,1H3,(H,21,22,23,24);4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24);8-12H,3-7H2,1-2H3,(H,21,22,23,24)
InChIKeyHLXDAODABCJWRR-UHFFFAOYSA-N
XLogP7.93
TPSA243.33 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.51
LogP ≤ 57.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine
CID 15979397
5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979398
2-[4-[2-Methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;hydrochloride
CID 137355952
2-[4-[2-Methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 137355953
N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-ethyl-1,3-thiazol-2-amine
CID 157769871
N-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine
CID 159533354
N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(diethylaminomethyl)-1,3-thiazol-2-amine
CID 162071504
N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[3-(4-fluoropiperidin-1-yl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725956
2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725968
N-[2-[(1R)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726041
N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726166
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methyl-4-pyridinyl)-1,3-thiazol-2-amine
CID 155521762

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 158518335) is N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is CCN1CCN(c2cc(Nc3ncc(-c4ccccn4)s3)nc(C)n2)CC1.CCN1CCN(c2cc(Nc3ncc(-c4cncnc4)s3)nc(C)n2)CC1.Cc1nc(Nc2ncc(-c3cccnc3)s2)cc(N2CCN(CCO)CC2)n1.
What is the InChIKey of N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is HLXDAODABCJWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7OS.C19H23N7S.C18H22N8S/c1-14-22-17(11-18(23-14)26-7-5-25(6-8-26)9-10-27)24-19-21-13-16(28-19)15-3-2-4-20-12-15;1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-6-4-5-7-20-15;1-3-25-4-6-26(7-5-25)17-8-16(22-13(2)23-17)24-18-21-11-15(27-18)14-9-19-12-20-10-14/h2-4,11-13,27H,5-10H2,1H3,(H,21,22,23,24);4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24);8-12H,3-7H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 1161.51 g/mol, XLogP of 7.93, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 158518335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).