1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea

C15H21N3O3S3 — CID 91001420

IUPAC1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea
SMILESCCc1nc(NC(=O)NS(=O)(=O)c2cc(C)c(CC)s2)sc1CC
InChIInChI=1S/C15H21N3O3S3/c1-5-10-12(7-3)23-15(16-10)17-14(19)18-24(20,21)13-8-9(4)11(6-2)22-13/h8H,5-7H2,1-4H3,(H2,16,17,18,19)
InChIKeyRNBHUACRSUDEDI-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.71
Rot. Bonds6

About 1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea

1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea (PubChem CID 91001420) has the molecular formula C15H21N3O3S3 and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea
PubChem CID91001420
Molecular FormulaC15H21N3O3S3
Molecular Weight387.55 g/mol
Exact Mass387.07
IUPAC Name1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea
SMILESCCc1nc(NC(=O)NS(=O)(=O)c2cc(C)c(CC)s2)sc1CC
InChIInChI=1S/C15H21N3O3S3/c1-5-10-12(7-3)23-15(16-10)17-14(19)18-24(20,21)13-8-9(4)11(6-2)22-13/h8H,5-7H2,1-4H3,(H2,16,17,18,19)
InChIKeyRNBHUACRSUDEDI-UHFFFAOYSA-N
XLogP3.71
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea?
The IUPAC name of 1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea (CID 91001420) is 1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea is CCc1nc(NC(=O)NS(=O)(=O)c2cc(C)c(CC)s2)sc1CC.
What is the InChIKey of 1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea?
The InChIKey is RNBHUACRSUDEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S3/c1-5-10-12(7-3)23-15(16-10)17-14(19)18-24(20,21)13-8-9(4)11(6-2)22-13/h8H,5-7H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea?
1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea has a molecular weight of 387.55 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea is sourced from PubChem (CID 91001420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).