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

C15H14N4O2S2 — CID 110504077

IUPACN-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C15H14N4O2S2/c1-23(20,21)19-13-4-2-12(3-5-13)17-15-18-14(10-22-15)11-6-8-16-9-7-11/h2-10,19H,1H3,(H,17,18)
InChIKeyLGXVYLKAXMTFFA-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.32
Rot. Bonds5

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

N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide (PubChem CID 110504077) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
PubChem CID110504077
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC NameN-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C15H14N4O2S2/c1-23(20,21)19-13-4-2-12(3-5-13)17-15-18-14(10-22-15)11-6-8-16-9-7-11/h2-10,19H,1H3,(H,17,18)
InChIKeyLGXVYLKAXMTFFA-UHFFFAOYSA-N
XLogP3.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
4-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504080
N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 155312775
N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166180802
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340287
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504097
N-[4-[2-(2-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340285
4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzoate
CID 3513785
N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340281
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide (CID 110504077) is N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide?
The InChIKey is LGXVYLKAXMTFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-23(20,21)19-13-4-2-12(3-5-13)17-15-18-14(10-22-15)11-6-8-16-9-7-11/h2-10,19H,1H3,(H,17,18).
What are the key properties of N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide?
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide has a molecular weight of 346.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 110504077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).