4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine

C19H18N6S2 — CID 44522316

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCc1nc(-c2nc(NCCc3cnccn3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C19H18N6S2/c1-12-13(2)27-18(24-12)17-16(14-4-8-26-11-14)10-23-19(25-17)22-5-3-15-9-20-6-7-21-15/h4,6-11H,3,5H2,1-2H3,(H,22,23,25)
InChIKeyPIZDVMFLQFYMES-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.39
Rot. Bonds6

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522316) has the molecular formula C19H18N6S2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522316
Molecular FormulaC19H18N6S2
Molecular Weight394.53 g/mol
Exact Mass394.10
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCc1nc(-c2nc(NCCc3cnccn3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C19H18N6S2/c1-12-13(2)27-18(24-12)17-16(14-4-8-26-11-14)10-23-19(25-17)22-5-3-15-9-20-6-7-21-15/h4,6-11H,3,5H2,1-2H3,(H,22,23,25)
InChIKeyPIZDVMFLQFYMES-UHFFFAOYSA-N
XLogP4.39
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
Ikk-IN-3
CID 10215156
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
1-(3-Methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138109
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
6-Butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 118059092

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522316) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine is Cc1nc(-c2nc(NCCc3cnccn3)ncc2-c2ccsc2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is PIZDVMFLQFYMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6S2/c1-12-13(2)27-18(24-12)17-16(14-4-8-26-11-14)10-23-19(25-17)22-5-3-15-9-20-6-7-21-15/h4,6-11H,3,5H2,1-2H3,(H,22,23,25).
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 394.53 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).