2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol

C19H23N5OS — CID 10177145

IUPAC2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1
InChIInChI=1S/C19H23N5OS/c1-4-24(11-12-25)16-7-5-15(6-8-16)22-19-20-10-9-17(23-19)18-13(2)21-14(3)26-18/h5-10,25H,4,11-12H2,1-3H3,(H,20,22,23)
InChIKeyLWQGITPEYDEDIJ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.78
Rot. Bonds7

About 2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol

2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol (PubChem CID 10177145) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol
PubChem CID10177145
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1
InChIInChI=1S/C19H23N5OS/c1-4-24(11-12-25)16-7-5-15(6-8-16)22-19-20-10-9-17(23-19)18-13(2)21-14(3)26-18/h5-10,25H,4,11-12H2,1-3H3,(H,20,22,23)
InChIKeyLWQGITPEYDEDIJ-UHFFFAOYSA-N
XLogP3.78
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol with MolForge

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Related Compounds

N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 11255595
[4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid
CID 67347692
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 10090332
[4-[[4-(4-butan-2-yl-2-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-(2-methoxyethyl)carbamic acid
CID 67349235
5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 10427423
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
CID 6539292
methyl-[4-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]carbamic acid
CID 87366230
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901225
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine
CID 10001471
5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine
CID 155104867
4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane
CID 143143317
ethyl 4-[[4-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzoate
CID 67350840

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol?
The IUPAC name of 2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol (CID 10177145) is 2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol.
What is the SMILES notation for 2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol?
The canonical SMILES for 2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol is CCN(CCO)c1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1.
What is the InChIKey of 2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol?
The InChIKey is LWQGITPEYDEDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-4-24(11-12-25)16-7-5-15(6-8-16)22-19-20-10-9-17(23-19)18-13(2)21-14(3)26-18/h5-10,25H,4,11-12H2,1-3H3,(H,20,22,23).
What are the key properties of 2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol?
2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol has a molecular weight of 369.49 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol is sourced from PubChem (CID 10177145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).