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

C16H16N4O2S2 — CID 167872617

IUPACN-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCN(c1ccc(-c2csc(Nc3cccnc3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16N4O2S2/c1-20(24(2,21)22)14-7-5-12(6-8-14)15-11-23-16(19-15)18-13-4-3-9-17-10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyHNXDOSOSIGXHFC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.34
Rot. Bonds5

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

N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 167872617) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID167872617
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCN(c1ccc(-c2csc(Nc3cccnc3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16N4O2S2/c1-20(24(2,21)22)14-7-5-12(6-8-14)15-11-23-16(19-15)18-13-4-3-9-17-10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyHNXDOSOSIGXHFC-UHFFFAOYSA-N
XLogP3.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
CID 5344942
N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide
CID 9343584
N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 31263059
N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9343376
(E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide
CID 73168633
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide
CID 17412659
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
N-pyridin-2-yl-4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;N-pyridin-3-yl-4-[3-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 18428300
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 72720053
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 167872617) is N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is CN(c1ccc(-c2csc(Nc3cccnc3)n2)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is HNXDOSOSIGXHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-20(24(2,21)22)14-7-5-12(6-8-14)15-11-23-16(19-15)18-13-4-3-9-17-10-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 360.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 167872617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).