N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C15H15N3O3S2 — CID 71940271

IUPACN-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H15N3O3S2/c1-9(2)15-17-10(3)13(22-15)14(19)18-23(20,21)12-6-4-11(8-16)5-7-12/h4-7,9H,1-3H3,(H,18,19)
InChIKeyUBAIEFFQHYZOPQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.57
Rot. Bonds4

About N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 71940271) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID71940271
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H15N3O3S2/c1-9(2)15-17-10(3)13(22-15)14(19)18-23(20,21)12-6-4-11(8-16)5-7-12/h4-7,9H,1-3H3,(H,18,19)
InChIKeyUBAIEFFQHYZOPQ-UHFFFAOYSA-N
XLogP2.57
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
N-(3,4-dichlorophenyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46450785
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46454338
4-cyano-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996357
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
(2S)-2-butylsulfanyl-N-(4-cyanophenyl)sulfonylpropanamide
CID 94801229
N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72837310
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55899991
N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 71893535
2-[(4-cyanobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59729192
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 71940271) is N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UBAIEFFQHYZOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-9(2)15-17-10(3)13(22-15)14(19)18-23(20,21)12-6-4-11(8-16)5-7-12/h4-7,9H,1-3H3,(H,18,19).
What are the key properties of N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)sulfonyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71940271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).