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

C19H29N3O3S — CID 18969415

IUPACmethyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate
SMILESCOC(=O)CCC1CCC(NC(=O)c2csc(C3CCNCC3)n2)CC1
InChIInChI=1S/C19H29N3O3S/c1-25-17(23)7-4-13-2-5-15(6-3-13)21-18(24)16-12-26-19(22-16)14-8-10-20-11-9-14/h12-15,20H,2-11H2,1H3,(H,21,24)
InChIKeyZQQVCKWPFFVYSD-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.85
Rot. Bonds6

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

methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate (PubChem CID 18969415) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate
PubChem CID18969415
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Namemethyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate
SMILESCOC(=O)CCC1CCC(NC(=O)c2csc(C3CCNCC3)n2)CC1
InChIInChI=1S/C19H29N3O3S/c1-25-17(23)7-4-13-2-5-15(6-3-13)21-18(24)16-12-26-19(22-16)14-8-10-20-11-9-14/h12-15,20H,2-11H2,1H3,(H,21,24)
InChIKeyZQQVCKWPFFVYSD-UHFFFAOYSA-N
XLogP2.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

methyl 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoate
CID 15391219
methyl 3-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]propanoate
CID 18969401
ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 5091991
methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate
CID 170969990
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3553057
propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate
CID 67844937
2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 66679882
fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate
CID 156738991
2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide
CID 3544141
2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820
N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23798960
N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3842964

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate?
The IUPAC name of methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate (CID 18969415) is methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate.
What is the SMILES notation for methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate?
The canonical SMILES for methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate is COC(=O)CCC1CCC(NC(=O)c2csc(C3CCNCC3)n2)CC1.
What is the InChIKey of methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate?
The InChIKey is ZQQVCKWPFFVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-25-17(23)7-4-13-2-5-15(6-3-13)21-18(24)16-12-26-19(22-16)14-8-10-20-11-9-14/h12-15,20H,2-11H2,1H3,(H,21,24).
What are the key properties of methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate?
methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate has a molecular weight of 379.53 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate is sourced from PubChem (CID 18969415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).