N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

C16H15N3O2S2 — CID 31263059

IUPACN-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCN(c1ccc(-c2csc(-c3ccncc3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H15N3O2S2/c1-19(23(2,20)21)14-5-3-12(4-6-14)15-11-22-16(18-15)13-7-9-17-10-8-13/h3-11H,1-2H3
InChIKeyLLUZVKYMBDQURE-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.27
Rot. Bonds4

About N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (PubChem CID 31263059) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
PubChem CID31263059
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCN(c1ccc(-c2csc(-c3ccncc3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H15N3O2S2/c1-19(23(2,20)21)14-5-3-12(4-6-14)15-11-22-16(18-15)13-7-9-17-10-8-13/h3-11H,1-2H3
InChIKeyLLUZVKYMBDQURE-UHFFFAOYSA-N
XLogP3.27
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 9173901
N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 167872617
N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9343376
N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide
CID 9343584
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide
CID 17412659
N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597836
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole
CID 31263057
2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
CID 100596517
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42887046
N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9330105
N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 8891148
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9173882

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (CID 31263059) is N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is CN(c1ccc(-c2csc(-c3ccncc3)n2)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The InChIKey is LLUZVKYMBDQURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-19(23(2,20)21)14-5-3-12(4-6-14)15-11-22-16(18-15)13-7-9-17-10-8-13/h3-11H,1-2H3.
What are the key properties of N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 31263059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).