3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid

C19H29N3O3S — CID 18969515

IUPAC3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid
SMILESCc1nc(C2CCNCC2)sc1C(=O)NC1CCC(CCC(=O)O)CC1
InChIInChI=1S/C19H29N3O3S/c1-12-17(26-19(21-12)14-8-10-20-11-9-14)18(25)22-15-5-2-13(3-6-15)4-7-16(23)24/h13-15,20H,2-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyJACDOIFTCIVWJQ-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.07
Rot. Bonds6

About 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid

3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid (PubChem CID 18969515) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid
PubChem CID18969515
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid
SMILESCc1nc(C2CCNCC2)sc1C(=O)NC1CCC(CCC(=O)O)CC1
InChIInChI=1S/C19H29N3O3S/c1-12-17(26-19(21-12)14-8-10-20-11-9-14)18(25)22-15-5-2-13(3-6-15)4-7-16(23)24/h13-15,20H,2-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyJACDOIFTCIVWJQ-UHFFFAOYSA-N
XLogP3.07
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid?
The IUPAC name of 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid (CID 18969515) is 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid is Cc1nc(C2CCNCC2)sc1C(=O)NC1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid?
The InChIKey is JACDOIFTCIVWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-12-17(26-19(21-12)14-8-10-20-11-9-14)18(25)22-15-5-2-13(3-6-15)4-7-16(23)24/h13-15,20H,2-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid?
3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid has a molecular weight of 379.53 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid is sourced from PubChem (CID 18969515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).