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

C13H12N4O3S2 — CID 86818334

IUPAC2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCc2cc(-c3ccccc3)on2)s1
InChIInChI=1S/C13H12N4O3S2/c14-22(18,19)12-8-16-13(21-12)15-7-10-6-11(20-17-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16)(H2,14,18,19)
InChIKeyMVUKWQXCWSETRL-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.06
Rot. Bonds5

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

2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 86818334) has the molecular formula C13H12N4O3S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID86818334
Molecular FormulaC13H12N4O3S2
Molecular Weight336.40 g/mol
Exact Mass336.04
IUPAC Name2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCc2cc(-c3ccccc3)on2)s1
InChIInChI=1S/C13H12N4O3S2/c14-22(18,19)12-8-16-13(21-12)15-7-10-6-11(20-17-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16)(H2,14,18,19)
InChIKeyMVUKWQXCWSETRL-UHFFFAOYSA-N
XLogP2.06
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133331367
2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133279971
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 71934163
2,4-bis(methylsulfonyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]aniline
CID 133282889
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 56789648
5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 86805393
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
CID 162624310
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
CID 170752624
2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133406322

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide (CID 86818334) is 2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCc2cc(-c3ccccc3)on2)s1.
What is the InChIKey of 2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is MVUKWQXCWSETRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S2/c14-22(18,19)12-8-16-13(21-12)15-7-10-6-11(20-17-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16)(H2,14,18,19).
What are the key properties of 2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide?
2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 336.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 86818334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).