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

C15H23N3O3S — CID 122023607

IUPAC4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cnc(CCN(C)C(=O)NC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C15H23N3O3S/c1-10-9-16-13(22-10)7-8-18(2)15(21)17-12-5-3-11(4-6-12)14(19)20/h9,11-12H,3-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBTJAHDFMJYZIRY-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.28
Rot. Bonds5

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

4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122023607) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122023607
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cnc(CCN(C)C(=O)NC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C15H23N3O3S/c1-10-9-16-13(22-10)7-8-18(2)15(21)17-12-5-3-11(4-6-12)14(19)20/h9,11-12H,3-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBTJAHDFMJYZIRY-UHFFFAOYSA-N
XLogP2.28
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122023607) is 4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is Cc1cnc(CCN(C)C(=O)NC2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is BTJAHDFMJYZIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-10-9-16-13(22-10)7-8-18(2)15(21)17-12-5-3-11(4-6-12)14(19)20/h9,11-12H,3-8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 325.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).