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

C9H12N4O2S3 — CID 133406322

IUPAC2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(CNc2ncc(S(N)(=O)=O)s2)c(C)s1
InChIInChI=1S/C9H12N4O2S3/c1-5-7(13-6(2)16-5)3-11-9-12-4-8(17-9)18(10,14)15/h4H,3H2,1-2H3,(H,11,12)(H2,10,14,15)
InChIKeyOTFJFNNVIIHWAO-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.48
Rot. Bonds4

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

2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133406322) has the molecular formula C9H12N4O2S3 and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133406322
Molecular FormulaC9H12N4O2S3
Molecular Weight304.42 g/mol
Exact Mass304.01
IUPAC Name2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(CNc2ncc(S(N)(=O)=O)s2)c(C)s1
InChIInChI=1S/C9H12N4O2S3/c1-5-7(13-6(2)16-5)3-11-9-12-4-8(17-9)18(10,14)15/h4H,3H2,1-2H3,(H,11,12)(H2,10,14,15)
InChIKeyOTFJFNNVIIHWAO-UHFFFAOYSA-N
XLogP1.48
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide (CID 133406322) is 2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide is Cc1nc(CNc2ncc(S(N)(=O)=O)s2)c(C)s1.
What is the InChIKey of 2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is OTFJFNNVIIHWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S3/c1-5-7(13-6(2)16-5)3-11-9-12-4-8(17-9)18(10,14)15/h4H,3H2,1-2H3,(H,11,12)(H2,10,14,15).
What are the key properties of 2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide?
2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133406322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).