4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide

C15H21ClN6O2S — CID 145283492

IUPAC4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide
SMILESCCc1[nH]c(C(=O)NC2CCN(c3nnc([C@@H](C)O)s3)CC2)nc1Cl
InChIInChI=1S/C15H21ClN6O2S/c1-3-10-11(16)19-12(18-10)13(24)17-9-4-6-22(7-5-9)15-21-20-14(25-15)8(2)23/h8-9,23H,3-7H2,1-2H3,(H,17,24)(H,18,19)/t8-/m1/s1
InChIKeyOVZMKWBLPVZPJY-MRVPVSSYSA-N
MW384.89 g/mol
LogP1.93
Rot. Bonds5

About 4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide

4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide (PubChem CID 145283492) has the molecular formula C15H21ClN6O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide
PubChem CID145283492
Molecular FormulaC15H21ClN6O2S
Molecular Weight384.89 g/mol
Exact Mass384.11
IUPAC Name4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide
SMILESCCc1[nH]c(C(=O)NC2CCN(c3nnc([C@@H](C)O)s3)CC2)nc1Cl
InChIInChI=1S/C15H21ClN6O2S/c1-3-10-11(16)19-12(18-10)13(24)17-9-4-6-22(7-5-9)15-21-20-14(25-15)8(2)23/h8-9,23H,3-7H2,1-2H3,(H,17,24)(H,18,19)/t8-/m1/s1
InChIKeyOVZMKWBLPVZPJY-MRVPVSSYSA-N
XLogP1.93
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-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

Related Compounds

4-chloro-5-ethyl-N-[(3S,4R)-1-[5-[(1S)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]-3-methoxypiperidin-4-yl]-1H-imidazole-2-carboxamide
CID 135283684
4-chloro-5-ethyl-N-[3-hydroxy-1-[5-(1-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide
CID 145283483
2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid
CID 163798507
ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 67549110
2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-(2-ethoxyethylcarbamoyl)-1,3-thiazole-5-carboxylic acid;ethanol
CID 143829097
N-[(3S,4R)-1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methoxypiperidin-4-yl]-4-chloro-5-ethyl-1H-imidazole-2-carboxamide
CID 135283672
methyl 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-hydroxypiperidin-1-yl]-1,3,4-thiadiazole-2-carboxylate
CID 145283500
2-[3-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]azetidin-1-yl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 59615426
ethyl 5-[(3S,4R)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-ethoxypiperidin-1-yl]-1,3,4-thiadiazole-2-carboxylate
CID 135283720
2-[(3R,4R)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(dimethylamino)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 70848011
2-[(3S,4R)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(propylamino)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59615413
2-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 86648865

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of 4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide (CID 145283492) is 4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide is CCc1[nH]c(C(=O)NC2CCN(c3nnc([C@@H](C)O)s3)CC2)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide?
The InChIKey is OVZMKWBLPVZPJY-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H21ClN6O2S/c1-3-10-11(16)19-12(18-10)13(24)17-9-4-6-22(7-5-9)15-21-20-14(25-15)8(2)23/h8-9,23H,3-7H2,1-2H3,(H,17,24)(H,18,19)/t8-/m1/s1.
What are the key properties of 4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide?
4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-N-[1-[5-[(1R)-1-hydroxyethyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 145283492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).