2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide

C16H15N5O4S3 — CID 136705879

IUPAC2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide
SMILESCSCc1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc(=O)[nH]1
InChIInChI=1S/C16H15N5O4S3/c1-26-9-13-19-12(8-14(22)20-13)15(23)18-10-2-4-11(5-3-10)28(24,25)21-16-17-6-7-27-16/h2-8H,9H2,1H3,(H,17,21)(H,18,23)(H,19,20,22)
InChIKeyLEVIUMQYLPWCFH-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.14
Rot. Bonds7

About 2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide

2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136705879) has the molecular formula C16H15N5O4S3 and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide
PubChem CID136705879
Molecular FormulaC16H15N5O4S3
Molecular Weight437.53 g/mol
Exact Mass437.03
IUPAC Name2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide
SMILESCSCc1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc(=O)[nH]1
InChIInChI=1S/C16H15N5O4S3/c1-26-9-13-19-12(8-14(22)20-13)15(23)18-10-2-4-11(5-3-10)28(24,25)21-16-17-6-7-27-16/h2-8H,9H2,1H3,(H,17,21)(H,18,23)(H,19,20,22)
InChIKeyLEVIUMQYLPWCFH-UHFFFAOYSA-N
XLogP2.14
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(methylsulfanylmethyl)-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-4-carboxamide
CID 136834711
2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2974593
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705823
4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide
CID 19474994
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17013075
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19475273
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834716
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 59205391

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide (CID 136705879) is 2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide is CSCc1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is LEVIUMQYLPWCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4S3/c1-26-9-13-19-12(8-14(22)20-13)15(23)18-10-2-4-11(5-3-10)28(24,25)21-16-17-6-7-27-16/h2-8H,9H2,1H3,(H,17,21)(H,18,23)(H,19,20,22).
What are the key properties of 2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide?
2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136705879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).