1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea

C13H17N3O4S4 — CID 42634015

IUPAC1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea
SMILESCSc1sc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)nc1C
InChIInChI=1S/C13H17N3O4S4/c1-7-6-10(22-9(7)4-5-17)24(19,20)16-12(18)15-13-14-8(2)11(21-3)23-13/h6,17H,4-5H2,1-3H3,(H2,14,15,16,18)
InChIKeyDWNWDKRMRCFDSY-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.59
Rot. Bonds6

About 1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea

1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea (PubChem CID 42634015) has the molecular formula C13H17N3O4S4 and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea
PubChem CID42634015
Molecular FormulaC13H17N3O4S4
Molecular Weight407.56 g/mol
Exact Mass407.01
IUPAC Name1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea
SMILESCSc1sc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)nc1C
InChIInChI=1S/C13H17N3O4S4/c1-7-6-10(22-9(7)4-5-17)24(19,20)16-12(18)15-13-14-8(2)11(21-3)23-13/h6,17H,4-5H2,1-3H3,(H2,14,15,16,18)
InChIKeyDWNWDKRMRCFDSY-UHFFFAOYSA-N
XLogP2.59
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea (CID 42634015) is 1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea is CSc1sc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)nc1C.
What is the InChIKey of 1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea?
The InChIKey is DWNWDKRMRCFDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S4/c1-7-6-10(22-9(7)4-5-17)24(19,20)16-12(18)15-13-14-8(2)11(21-3)23-13/h6,17H,4-5H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea?
1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea has a molecular weight of 407.56 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 42634015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).