4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C18H27N3O3S — CID 87412592

IUPAC4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cnc(NC(=O)N(C2CCCCC2)C2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C18H27N3O3S/c1-12-11-19-17(25-12)20-18(24)21(14-5-3-2-4-6-14)15-9-7-13(8-10-15)16(22)23/h11,13-15H,2-10H2,1H3,(H,22,23)(H,19,20,24)
InChIKeyIVQLZGXRUHXBTF-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.26
Rot. Bonds4

About 4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 87412592) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID87412592
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cnc(NC(=O)N(C2CCCCC2)C2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C18H27N3O3S/c1-12-11-19-17(25-12)20-18(24)21(14-5-3-2-4-6-14)15-9-7-13(8-10-15)16(22)23/h11,13-15H,2-10H2,1H3,(H,22,23)(H,19,20,24)
InChIKeyIVQLZGXRUHXBTF-UHFFFAOYSA-N
XLogP4.26
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
CID 11176632
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 813355
1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea
CID 141119422
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
2-[[cyclohexyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazole-5-sulfonic acid
CID 87416992
2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2969362
1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea
CID 11772353
3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
CID 141119437
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
1,1-dicyclohexyl-3-(5-pentylsulfanyl-1,3-thiazol-2-yl)urea
CID 87192872
5-[2-carboxypropan-2-yl(sulfinato)amino]-2-[[cyclohexyl-(4-propoxycyclohexyl)carbamoyl]amino]-1,3-thiazole
CID 91807995

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 87412592) is 4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid is Cc1cnc(NC(=O)N(C2CCCCC2)C2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is IVQLZGXRUHXBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-12-11-19-17(25-12)20-18(24)21(14-5-3-2-4-6-14)15-9-7-13(8-10-15)16(22)23/h11,13-15H,2-10H2,1H3,(H,22,23)(H,19,20,24).
What are the key properties of 4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 365.50 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 87412592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).