2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide

C11H19N3O3S2 — CID 133159057

IUPAC2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCC(C)NC(=O)c1sc(NS(C)(=O)=O)nc1C
InChIInChI=1S/C11H19N3O3S2/c1-5-6-7(2)12-10(15)9-8(3)13-11(18-9)14-19(4,16)17/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeySESLUUFUIXKDHI-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.74
Rot. Bonds6

About 2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide

2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 133159057) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID133159057
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCC(C)NC(=O)c1sc(NS(C)(=O)=O)nc1C
InChIInChI=1S/C11H19N3O3S2/c1-5-6-7(2)12-10(15)9-8(3)13-11(18-9)14-19(4,16)17/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeySESLUUFUIXKDHI-UHFFFAOYSA-N
XLogP1.74
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 100772934
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 92627095
N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773344
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120506203
2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570104
2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 96563419
N-(3-chloro-2-methylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773126
3-amino-4,6-dimethyl-N-pentan-2-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81053012

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide (CID 133159057) is 2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide is CCCC(C)NC(=O)c1sc(NS(C)(=O)=O)nc1C.
What is the InChIKey of 2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SESLUUFUIXKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-5-6-7(2)12-10(15)9-8(3)13-11(18-9)14-19(4,16)17/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide?
2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 133159057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).