2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide

C21H17N5O3S2 — CID 39115626

IUPAC2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2ccccc2)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)s1
InChIInChI=1S/C21H17N5O3S2/c22-21-25-18(14-6-2-1-3-7-14)19(30-21)20(27)24-15-9-11-16(12-10-15)31(28,29)26-17-8-4-5-13-23-17/h1-13H,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyGYGAIRZXFHNFED-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.84
Rot. Bonds6

About 2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide

2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 39115626) has the molecular formula C21H17N5O3S2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID39115626
Molecular FormulaC21H17N5O3S2
Molecular Weight451.53 g/mol
Exact Mass451.08
IUPAC Name2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2ccccc2)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)s1
InChIInChI=1S/C21H17N5O3S2/c22-21-25-18(14-6-2-1-3-7-14)19(30-21)20(27)24-15-9-11-16(12-10-15)31(28,29)26-17-8-4-5-13-23-17/h1-13H,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyGYGAIRZXFHNFED-UHFFFAOYSA-N
XLogP3.84
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 39071372
2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 54003940
N-[4-(pyridin-2-ylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 19204277
[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 87842258
3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078179
3-(benzenesulfonamido)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 92677705
3,4-dichloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078174
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 39194623
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide (CID 39115626) is 2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide is Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)s1.
What is the InChIKey of 2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GYGAIRZXFHNFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3S2/c22-21-25-18(14-6-2-1-3-7-14)19(30-21)20(27)24-15-9-11-16(12-10-15)31(28,29)26-17-8-4-5-13-23-17/h1-13H,(H2,22,25)(H,23,26)(H,24,27).
What are the key properties of 2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39115626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).