2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide

C16H15N3O3S3 — CID 24645771

IUPAC2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCc2ccc(S(N)(=O)=O)s2)s1
InChIInChI=1S/C16H15N3O3S3/c1-10-19-14(11-5-3-2-4-6-11)15(23-10)16(20)18-9-12-7-8-13(24-12)25(17,21)22/h2-8H,9H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyHDFFCKKMPQPWIG-UHFFFAOYSA-N
MW393.52 g/mol
LogP2.76
Rot. Bonds5

About 2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide

2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 24645771) has the molecular formula C16H15N3O3S3 and a molecular weight of 393.52 g/mol. Its IUPAC name is 2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID24645771
Molecular FormulaC16H15N3O3S3
Molecular Weight393.52 g/mol
Exact Mass393.03
IUPAC Name2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCc2ccc(S(N)(=O)=O)s2)s1
InChIInChI=1S/C16H15N3O3S3/c1-10-19-14(11-5-3-2-4-6-11)15(23-10)16(20)18-9-12-7-8-13(24-12)25(17,21)22/h2-8H,9H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyHDFFCKKMPQPWIG-UHFFFAOYSA-N
XLogP2.76
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47099010
2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 47445414
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
CID 65204670
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24503840
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62339651
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53112482
2-tert-butyl-4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18286297
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47246546
4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47004961
3-chloro-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80642639
(2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 24645771) is 2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NCc2ccc(S(N)(=O)=O)s2)s1.
What is the InChIKey of 2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HDFFCKKMPQPWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S3/c1-10-19-14(11-5-3-2-4-6-11)15(23-10)16(20)18-9-12-7-8-13(24-12)25(17,21)22/h2-8H,9H2,1H3,(H,18,20)(H2,17,21,22).
What are the key properties of 2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 393.52 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24645771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).