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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Related Compounds

cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 95299860
4-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)benzamide
CID 2425944
N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 111750446
N-cyclohexyl-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 78897609
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600777
1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea
CID 174458914
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-methylsulfonylbenzoate
CID 55486499
N-cyclohexyl-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 78834174
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide
CID 102866442
N-cyclohexyl-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(1,3-thiazol-2-yl)propanamide
CID 78842238
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 18267986
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257

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).