N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide

C17H14N4OS2 — CID 155328489

IUPACN-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide
SMILESCS(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)s2)c1
InChIInChI=1S/C17H14N4OS2/c1-24(22)21-15-4-2-3-14(9-15)20-17-19-11-16(23-17)13-7-5-12(10-18)6-8-13/h2-9,11,21H,1H3,(H,19,20)
InChIKeyKAWOTMCFOQSWNV-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.13
Rot. Bonds5

About N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide

N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide (PubChem CID 155328489) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide.

Molecular Properties

Compound NameN-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide
PubChem CID155328489
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC NameN-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide
SMILESCS(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)s2)c1
InChIInChI=1S/C17H14N4OS2/c1-24(22)21-15-4-2-3-14(9-15)20-17-19-11-16(23-17)13-7-5-12(10-18)6-8-13/h2-9,11,21H,1H3,(H,19,20)
InChIKeyKAWOTMCFOQSWNV-UHFFFAOYSA-N
XLogP4.13
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-cyanoanilino)-1,3-thiazole-5-carboxylate
CID 80571651
5-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 13443925
N-(3,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 11652687
5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
CID 134103716
3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile
CID 10314778
3-[2-(2-methoxyethylamino)-1,3-thiazol-5-yl]benzonitrile
CID 116812492
3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane
CID 144872027
N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 59994351
5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 173212534
3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile
CID 24735991
4-[4-(dimethylamino)-2-(3-methylanilino)-1,3-thiazole-5-carbonyl]benzonitrile
CID 134501152
4-(2-decoxy-1,3-thiazol-5-yl)benzonitrile
CID 102342006

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide?
The IUPAC name of N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide (CID 155328489) is N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide.
What is the SMILES notation for N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide?
The canonical SMILES for N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide is CS(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)s2)c1.
What is the InChIKey of N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide?
The InChIKey is KAWOTMCFOQSWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c1-24(22)21-15-4-2-3-14(9-15)20-17-19-11-16(23-17)13-7-5-12(10-18)6-8-13/h2-9,11,21H,1H3,(H,19,20).
What are the key properties of N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide?
N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide has a molecular weight of 354.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide is sourced from PubChem (CID 155328489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).