4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid

C19H29N3O3S — CID 18969438

IUPAC4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(CCC2CCNCC2)sc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H29N3O3S/c1-12-17(18(23)22-15-5-3-14(4-6-15)19(24)25)26-16(21-12)7-2-13-8-10-20-11-9-13/h13-15,20H,2-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyGJQFFKGWRUYEDH-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.76
Rot. Bonds6

About 4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 18969438) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID18969438
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(CCC2CCNCC2)sc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H29N3O3S/c1-12-17(18(23)22-15-5-3-14(4-6-15)19(24)25)26-16(21-12)7-2-13-8-10-20-11-9-13/h13-15,20H,2-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyGJQFFKGWRUYEDH-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 18969438) is 4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid is Cc1nc(CCC2CCNCC2)sc1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is GJQFFKGWRUYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-12-17(18(23)22-15-5-3-14(4-6-15)19(24)25)26-16(21-12)7-2-13-8-10-20-11-9-13/h13-15,20H,2-11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 379.53 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18969438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).