4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide

C18H17N5O3S2 — CID 136705849

IUPAC4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCSCc1nc(C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc(=O)[nH]1
InChIInChI=1S/C18H17N5O3S2/c1-10-15(17(26)20-11-6-4-3-5-7-11)28-18(19-10)23-16(25)12-8-14(24)22-13(21-12)9-27-2/h3-8H,9H2,1-2H3,(H,20,26)(H,19,23,25)(H,21,22,24)
InChIKeyOOOCZUKCZQRIIP-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.90
Rot. Bonds6

About 4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide

4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 136705849) has the molecular formula C18H17N5O3S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID136705849
Molecular FormulaC18H17N5O3S2
Molecular Weight415.50 g/mol
Exact Mass415.08
IUPAC Name4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCSCc1nc(C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc(=O)[nH]1
InChIInChI=1S/C18H17N5O3S2/c1-10-15(17(26)20-11-6-4-3-5-7-11)28-18(19-10)23-16(25)12-8-14(24)22-13(21-12)9-27-2/h3-8H,9H2,1-2H3,(H,20,26)(H,19,23,25)(H,21,22,24)
InChIKeyOOOCZUKCZQRIIP-UHFFFAOYSA-N
XLogP2.90
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methylsulfanylmethyl)-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide
CID 136834654
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136782624
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834716
N-(2,6-diethylphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705753
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834709
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 144822340
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136782638
N-(5-hydroxynaphthalen-1-yl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705736
2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110443786
N-(5-chloro-2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834611
N-(2-chloro-4,6-dimethylphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705890

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide (CID 136705849) is 4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide is CSCc1nc(C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc(=O)[nH]1.
What is the InChIKey of 4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is OOOCZUKCZQRIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S2/c1-10-15(17(26)20-11-6-4-3-5-7-11)28-18(19-10)23-16(25)12-8-14(24)22-13(21-12)9-27-2/h3-8H,9H2,1-2H3,(H,20,26)(H,19,23,25)(H,21,22,24).
What are the key properties of 4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136705849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).