1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone

C18H19N5O2S — CID 157150025

IUPAC1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone
SMILESCc1nc(NCCO)cc(Nc2ncc(C(=O)Cc3ccccc3)s2)n1
InChIInChI=1S/C18H19N5O2S/c1-12-21-16(19-7-8-24)10-17(22-12)23-18-20-11-15(26-18)14(25)9-13-5-3-2-4-6-13/h2-6,10-11,24H,7-9H2,1H3,(H2,19,20,21,22,23)
InChIKeyALDMNNZVQYPVFD-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.81
Rot. Bonds8

About 1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone

1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone (PubChem CID 157150025) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone
PubChem CID157150025
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone
SMILESCc1nc(NCCO)cc(Nc2ncc(C(=O)Cc3ccccc3)s2)n1
InChIInChI=1S/C18H19N5O2S/c1-12-21-16(19-7-8-24)10-17(22-12)23-18-20-11-15(26-18)14(25)9-13-5-3-2-4-6-13/h2-6,10-11,24H,7-9H2,1H3,(H2,19,20,21,22,23)
InChIKeyALDMNNZVQYPVFD-UHFFFAOYSA-N
XLogP2.81
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 141147103
4-[2-[[6-[[5-[2-(2-chloro-6-methylphenyl)acetyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]ethyl-methylamino]-1-hydroxybutan-2-one
CID 58359289
2-(2,6-difluorophenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone
CID 158140685
N-(2,6-dimethylphenyl)-2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 21137653
2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 141349337
methyl 2-[[2-methyl-6-[4-(2-phenylmethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 89258369
2-[[2-chloro-6-[3-(2-hydroxyethylamino)propylamino]pyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 130458816
N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(hydroxyamino)-2-oxoethyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 24856897
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 166167908
1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone
CID 159085381
3-[[4-(benzenesulfinyl)-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]amino]propan-1-ol
CID 118642030
N-(2-chloro-6-methylphenyl)-2-[[6-[3-(2-hydroxyethylamino)propylamino]-2-prop-1-en-2-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 130458893

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone?
The IUPAC name of 1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone (CID 157150025) is 1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone is Cc1nc(NCCO)cc(Nc2ncc(C(=O)Cc3ccccc3)s2)n1.
What is the InChIKey of 1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone?
The InChIKey is ALDMNNZVQYPVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12-21-16(19-7-8-24)10-17(22-12)23-18-20-11-15(26-18)14(25)9-13-5-3-2-4-6-13/h2-6,10-11,24H,7-9H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone?
1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone has a molecular weight of 369.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone is sourced from PubChem (CID 157150025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).