4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid

C20H22N2O3S — CID 67484729

IUPAC4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid
SMILESO=C(O)c1ccc(C2CC2C(=O)N(c2nccs2)C2CCCCC2)cc1
InChIInChI=1S/C20H22N2O3S/c23-18(17-12-16(17)13-6-8-14(9-7-13)19(24)25)22(20-21-10-11-26-20)15-4-2-1-3-5-15/h6-11,15-17H,1-5,12H2,(H,24,25)
InChIKeyJPNIJJISRZJJKN-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.31
Rot. Bonds5

About 4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid

4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid (PubChem CID 67484729) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid
PubChem CID67484729
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid
SMILESO=C(O)c1ccc(C2CC2C(=O)N(c2nccs2)C2CCCCC2)cc1
InChIInChI=1S/C20H22N2O3S/c23-18(17-12-16(17)13-6-8-14(9-7-13)19(24)25)22(20-21-10-11-26-20)15-4-2-1-3-5-15/h6-11,15-17H,1-5,12H2,(H,24,25)
InChIKeyJPNIJJISRZJJKN-UHFFFAOYSA-N
XLogP4.31
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid?
The IUPAC name of 4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid (CID 67484729) is 4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid.
What is the SMILES notation for 4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid?
The canonical SMILES for 4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid is O=C(O)c1ccc(C2CC2C(=O)N(c2nccs2)C2CCCCC2)cc1.
What is the InChIKey of 4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid?
The InChIKey is JPNIJJISRZJJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-18(17-12-16(17)13-6-8-14(9-7-13)19(24)25)22(20-21-10-11-26-20)15-4-2-1-3-5-15/h6-11,15-17H,1-5,12H2,(H,24,25).
What are the key properties of 4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid?
4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid has a molecular weight of 370.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclohexyl(1,3-thiazol-2-yl)carbamoyl]cyclopropyl]benzoic acid is sourced from PubChem (CID 67484729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).