5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid

C17H20N2O3S2 — CID 119185021

IUPAC5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCc2nc(C3CCCCC3)cs2)s1
InChIInChI=1S/C17H20N2O3S2/c20-16(13-6-7-14(24-13)17(21)22)18-9-8-15-19-12(10-23-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,18,20)(H,21,22)
InChIKeyBDCYNFJBNTYFTF-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.92
Rot. Bonds6

About 5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid

5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 119185021) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID119185021
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCc2nc(C3CCCCC3)cs2)s1
InChIInChI=1S/C17H20N2O3S2/c20-16(13-6-7-14(24-13)17(21)22)18-9-8-15-19-12(10-23-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,18,20)(H,21,22)
InChIKeyBDCYNFJBNTYFTF-UHFFFAOYSA-N
XLogP3.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid (CID 119185021) is 5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCCc2nc(C3CCCCC3)cs2)s1.
What is the InChIKey of 5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is BDCYNFJBNTYFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c20-16(13-6-7-14(24-13)17(21)22)18-9-8-15-19-12(10-23-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,18,20)(H,21,22).
What are the key properties of 5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 364.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119185021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).