2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide

C10H13N3O3S3 — CID 133403444

IUPAC2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N(CCO)Cc2ccsc2)s1
InChIInChI=1S/C10H13N3O3S3/c11-19(15,16)9-5-12-10(18-9)13(2-3-14)6-8-1-4-17-7-8/h1,4-5,7,14H,2-3,6H2,(H2,11,15,16)
InChIKeyYUXBVPPXJLSVQS-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.85
Rot. Bonds6

About 2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide

2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide (PubChem CID 133403444) has the molecular formula C10H13N3O3S3 and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide
PubChem CID133403444
Molecular FormulaC10H13N3O3S3
Molecular Weight319.43 g/mol
Exact Mass319.01
IUPAC Name2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N(CCO)Cc2ccsc2)s1
InChIInChI=1S/C10H13N3O3S3/c11-19(15,16)9-5-12-10(18-9)13(2-3-14)6-8-1-4-17-7-8/h1,4-5,7,14H,2-3,6H2,(H2,11,15,16)
InChIKeyYUXBVPPXJLSVQS-UHFFFAOYSA-N
XLogP0.85
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide (CID 133403444) is 2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(N(CCO)Cc2ccsc2)s1.
What is the InChIKey of 2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is YUXBVPPXJLSVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S3/c11-19(15,16)9-5-12-10(18-9)13(2-3-14)6-8-1-4-17-7-8/h1,4-5,7,14H,2-3,6H2,(H2,11,15,16).
What are the key properties of 2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide?
2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133403444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).