2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C14H18N4O3S2 — CID 120552976

IUPAC2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1
InChIInChI=1S/C14H18N4O3S2/c1-14(2,15)12(19)17-13-16-11(8-22-13)9-4-6-10(7-5-9)18-23(3,20)21/h4-8,18H,15H2,1-3H3,(H,16,17,19)
InChIKeyATARBFHGKMICIW-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide

2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 120552976) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID120552976
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1
InChIInChI=1S/C14H18N4O3S2/c1-14(2,15)12(19)17-13-16-11(8-22-13)9-4-6-10(7-5-9)18-23(3,20)21/h4-8,18H,15H2,1-3H3,(H,16,17,19)
InChIKeyATARBFHGKMICIW-UHFFFAOYSA-N
XLogP1.86
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate
CID 38430064
3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119694456
N-[4-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166189059
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119264633
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 24568361
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 24568455
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 24568436
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 3254844
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
2-(4-ethoxyphenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 24568286

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 120552976) is 2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1.
What is the InChIKey of 2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is ATARBFHGKMICIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-14(2,15)12(19)17-13-16-11(8-22-13)9-4-6-10(7-5-9)18-23(3,20)21/h4-8,18H,15H2,1-3H3,(H,16,17,19).
What are the key properties of 2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 354.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 120552976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).