N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide

C17H17N5O2S — CID 97153313

IUPACN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)N(C)[C@@H](C)c3ccncc3)c(=O)[nH]2)cs1
InChIInChI=1S/C17H17N5O2S/c1-10(12-4-6-18-7-5-12)22(3)17(24)13-8-19-15(21-16(13)23)14-9-25-11(2)20-14/h4-10H,1-3H3,(H,19,21,23)/t10-/m0/s1
InChIKeyABGSAIHMFFOLKA-JTQLQIEISA-N
MW355.42 g/mol
LogP2.43
Rot. Bonds4

About N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 97153313) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide
PubChem CID97153313
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)N(C)[C@@H](C)c3ccncc3)c(=O)[nH]2)cs1
InChIInChI=1S/C17H17N5O2S/c1-10(12-4-6-18-7-5-12)22(3)17(24)13-8-19-15(21-16(13)23)14-9-25-11(2)20-14/h4-10H,1-3H3,(H,19,21,23)/t10-/m0/s1
InChIKeyABGSAIHMFFOLKA-JTQLQIEISA-N
XLogP2.43
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 2101786
N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 2458771
ethyl 5-[2-[2-[2-(diethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 9981456
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875
6-oxo-N-(2-phenylpropan-2-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidine-5-carboxamide
CID 57878374
2-(3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481196
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481303
2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481312
1-Methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one
CID 10970438
2-Methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 18144733
6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 49789604

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide (CID 97153313) is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide is Cc1nc(-c2ncc(C(=O)N(C)[C@@H](C)c3ccncc3)c(=O)[nH]2)cs1.
What is the InChIKey of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is ABGSAIHMFFOLKA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10(12-4-6-18-7-5-12)22(3)17(24)13-8-19-15(21-16(13)23)14-9-25-11(2)20-14/h4-10H,1-3H3,(H,19,21,23)/t10-/m0/s1.
What are the key properties of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide?
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97153313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).