1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea

C14H19N3O4S4 — CID 42634013

IUPAC1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea
SMILESCCc1nc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)sc1SC
InChIInChI=1S/C14H19N3O4S4/c1-4-9-12(22-3)24-14(15-9)16-13(19)17-25(20,21)11-7-8(2)10(23-11)5-6-18/h7,18H,4-6H2,1-3H3,(H2,15,16,17,19)
InChIKeyGOMWXNSWFQGART-UHFFFAOYSA-N
MW421.59 g/mol
LogP2.84
Rot. Bonds7

About 1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea

1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea (PubChem CID 42634013) has the molecular formula C14H19N3O4S4 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea.

Molecular Properties

Compound Name1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea
PubChem CID42634013
Molecular FormulaC14H19N3O4S4
Molecular Weight421.59 g/mol
Exact Mass421.03
IUPAC Name1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea
SMILESCCc1nc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)sc1SC
InChIInChI=1S/C14H19N3O4S4/c1-4-9-12(22-3)24-14(15-9)16-13(19)17-25(20,21)11-7-8(2)10(23-11)5-6-18/h7,18H,4-6H2,1-3H3,(H2,15,16,17,19)
InChIKeyGOMWXNSWFQGART-UHFFFAOYSA-N
XLogP2.84
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
The IUPAC name of 1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea (CID 42634013) is 1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea.
What is the SMILES notation for 1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
The canonical SMILES for 1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea is CCc1nc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)sc1SC.
What is the InChIKey of 1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
The InChIKey is GOMWXNSWFQGART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S4/c1-4-9-12(22-3)24-14(15-9)16-13(19)17-25(20,21)11-7-8(2)10(23-11)5-6-18/h7,18H,4-6H2,1-3H3,(H2,15,16,17,19).
What are the key properties of 1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea has a molecular weight of 421.59 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea is sourced from PubChem (CID 42634013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).