1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone

C12H14N4OS — CID 17121420

IUPAC1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(Nc2nc(C)c(C)s2)nc1C
InChIInChI=1S/C12H14N4OS/c1-6-9(4)18-12(15-6)16-11-13-5-10(8(3)17)7(2)14-11/h5H,1-4H3,(H,13,14,15,16)
InChIKeySSRWKHFSJCRZTN-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.80
Rot. Bonds3

About 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 17121420) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
PubChem CID17121420
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(Nc2nc(C)c(C)s2)nc1C
InChIInChI=1S/C12H14N4OS/c1-6-9(4)18-12(15-6)16-11-13-5-10(8(3)17)7(2)14-11/h5H,1-4H3,(H,13,14,15,16)
InChIKeySSRWKHFSJCRZTN-UHFFFAOYSA-N
XLogP2.80
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone 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

1-(4-Methyl-2-{[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]amino}pyrimidin-5-yl)ethanone
CID 72857560
1-(2-{[3-(2-Amino-1,3-thiazol-4-YL)propyl]amino}-4-methylpyrimidin-5-YL)ethanone
CID 72933882
2-Amino-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-YL)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 77088476
1-[4-Methyl-2-(2-pyrimidinylamino)-1,3-thiazol-5-yl]ethanone
CID 4465092
2-Isopropyl-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-YL)ethyl]pyrimidine-5-carboxamide
CID 56869292
4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 126459107
2-[(4,6-Dimethylpyrimidin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 140467670
1-[4-Methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one
CID 142196660
1-[2-(4-Methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone
CID 168896463
2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 169316242
2-amino-4-methyl-N-(1,3-thiazol-2-yl)-5-pyrimidinecarboxamide
CID 1486933
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 9458263

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone (CID 17121420) is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone is CC(=O)c1cnc(Nc2nc(C)c(C)s2)nc1C.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is SSRWKHFSJCRZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-6-9(4)18-12(15-6)16-11-13-5-10(8(3)17)7(2)14-11/h5H,1-4H3,(H,13,14,15,16).
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 262.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 17121420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).