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

C14H19N3O4S3 — CID 42633650

IUPAC1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea
SMILESCCc1sc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)nc1C
InChIInChI=1S/C14H19N3O4S3/c1-4-10-9(3)15-14(23-10)16-13(19)17-24(20,21)12-7-8(2)11(22-12)5-6-18/h7,18H,4-6H2,1-3H3,(H2,15,16,17,19)
InChIKeyCKPJEUJAVPSMCJ-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.43
Rot. Bonds6

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

1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea (PubChem CID 42633650) has the molecular formula C14H19N3O4S3 and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea.

Molecular Properties

Compound Name1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea
PubChem CID42633650
Molecular FormulaC14H19N3O4S3
Molecular Weight389.52 g/mol
Exact Mass389.05
IUPAC Name1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea
SMILESCCc1sc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)nc1C
InChIInChI=1S/C14H19N3O4S3/c1-4-10-9(3)15-14(23-10)16-13(19)17-24(20,21)12-7-8(2)11(22-12)5-6-18/h7,18H,4-6H2,1-3H3,(H2,15,16,17,19)
InChIKeyCKPJEUJAVPSMCJ-UHFFFAOYSA-N
XLogP2.43
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethyl-5-(methylthio)thiazol-2-ylcarbamoyl)-5-(2-hydroxyethyl)-4-methylthiophene-2-sulfonamide
CID 42634013
5-(2-hydroxyethyl)-4-methyl-N-(4-methyl-5-(methylthio)thiazol-2-ylcarbamoyl)thiophene-2-sulfonamide
CID 42634015
5-(2-methoxyethyl)-4-methyl-N-(4-methyl-5-(methylthio)thiazol-2-ylcarbamoyl)thiophene-2-sulfonamide
CID 46224868
N-(4-ethyl-5-methoxythiazol-2-ylcarbamoyl)-5-(2-hydroxyethyl)-4-methylthiophene-2-sulfonamide
CID 46224869
5-(2-hydroxyethyl)-4-methyl-N-(4-methyl-5-(trifluoromethyl)thiazol-2-ylcarbamoyl)thiophene-2-sulfonamide
CID 46224902
1-[5-(2-Hydroxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-[4-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]urea
CID 42634200
N-[5-(5-{[(3-hydroxypropyl)amino]sulfonyl}-3-thienyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11998792
N-[5-(5-{[(cis-4-hydroxycyclohexyl)amino]sulfonyl}-3-thienyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11998793
N-{5-[5-(2-Hydroxy-ethylsulfamoyl)-thiophen-3-yl]-4-methyl-thiazol-2-yl}-acetamide
CID 11998798
N-(5-{5-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-thienyl}-4-methyl-1,3-thiazol-2-yl)acetamide
CID 11998799
N-[5-(5-{[(2,3-dihydroxypropyl)amino]sulfonyl}-3-thienyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11998905
1-(5-Bromo-4-ethyl-1,3-thiazol-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
CID 42633278

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
The IUPAC name of 1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea (CID 42633650) is 1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea.
What is the SMILES notation for 1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
The canonical SMILES for 1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea is CCc1sc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)nc1C.
What is the InChIKey of 1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
The InChIKey is CKPJEUJAVPSMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S3/c1-4-10-9(3)15-14(23-10)16-13(19)17-24(20,21)12-7-8(2)11(22-12)5-6-18/h7,18H,4-6H2,1-3H3,(H2,15,16,17,19).
What are the key properties of 1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea has a molecular weight of 389.52 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea is sourced from PubChem (CID 42633650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).