4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide

C17H24ClN5O2S — CID 59615470

IUPAC4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide
SMILESCCO[C@H]1CN(Cc2cncs2)CC[C@H]1NC(=O)c1nc(Cl)c(CC)[nH]1
InChIInChI=1S/C17H24ClN5O2S/c1-3-12-15(18)22-16(20-12)17(24)21-13-5-6-23(9-14(13)25-4-2)8-11-7-19-10-26-11/h7,10,13-14H,3-6,8-9H2,1-2H3,(H,20,22)(H,21,24)/t13-,14+/m1/s1
InChIKeySKLOPDJIPLXKMC-KGLIPLIRSA-N
MW397.93 g/mol
LogP2.49
Rot. Bonds7

About 4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide

4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide (PubChem CID 59615470) has the molecular formula C17H24ClN5O2S and a molecular weight of 397.93 g/mol. Its IUPAC name is 4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide
PubChem CID59615470
Molecular FormulaC17H24ClN5O2S
Molecular Weight397.93 g/mol
Exact Mass397.13
IUPAC Name4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide
SMILESCCO[C@H]1CN(Cc2cncs2)CC[C@H]1NC(=O)c1nc(Cl)c(CC)[nH]1
InChIInChI=1S/C17H24ClN5O2S/c1-3-12-15(18)22-16(20-12)17(24)21-13-5-6-23(9-14(13)25-4-2)8-11-7-19-10-26-11/h7,10,13-14H,3-6,8-9H2,1-2H3,(H,20,22)(H,21,24)/t13-,14+/m1/s1
InChIKeySKLOPDJIPLXKMC-KGLIPLIRSA-N
XLogP2.49
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide 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 4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide (CID 59615470) is 4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide is CCO[C@H]1CN(Cc2cncs2)CC[C@H]1NC(=O)c1nc(Cl)c(CC)[nH]1.
What is the InChIKey of 4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide?
The InChIKey is SKLOPDJIPLXKMC-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H24ClN5O2S/c1-3-12-15(18)22-16(20-12)17(24)21-13-5-6-23(9-14(13)25-4-2)8-11-7-19-10-26-11/h7,10,13-14H,3-6,8-9H2,1-2H3,(H,20,22)(H,21,24)/t13-,14+/m1/s1.
What are the key properties of 4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide?
4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide has a molecular weight of 397.93 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,4R)-3-ethoxy-1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 59615470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).