2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide

C13H12N4O2S3 — CID 133331367

IUPAC2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCc2csc(-c3ccccc3)n2)s1
InChIInChI=1S/C13H12N4O2S3/c14-22(18,19)11-7-16-13(21-11)15-6-10-8-20-12(17-10)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16)(H2,14,18,19)
InChIKeyZKTNDXSWOQWSGB-UHFFFAOYSA-N
MW352.47 g/mol
LogP2.53
Rot. Bonds5

About 2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide

2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133331367) has the molecular formula C13H12N4O2S3 and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133331367
Molecular FormulaC13H12N4O2S3
Molecular Weight352.47 g/mol
Exact Mass352.01
IUPAC Name2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCc2csc(-c3ccccc3)n2)s1
InChIInChI=1S/C13H12N4O2S3/c14-22(18,19)11-7-16-13(21-11)15-6-10-8-20-12(17-10)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16)(H2,14,18,19)
InChIKeyZKTNDXSWOQWSGB-UHFFFAOYSA-N
XLogP2.53
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 86818334
5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133331350
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133331317
2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 56789648
methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 133331356
4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 122140615
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133331329
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
CID 108780015
5-methyl-6-methylsulfonyl-8-nitro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-benzothiazin-4-one
CID 156636184
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 17455112
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 17164693

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide (CID 133331367) is 2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCc2csc(-c3ccccc3)n2)s1.
What is the InChIKey of 2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is ZKTNDXSWOQWSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S3/c14-22(18,19)11-7-16-13(21-11)15-6-10-8-20-12(17-10)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16)(H2,14,18,19).
What are the key properties of 2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide?
2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 352.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133331367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).