N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide

C18H21ClN4O2S — CID 119480398

IUPACN-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)C1
InChIInChI=1S/C18H21ClN4O2S/c19-14-6-2-1-5-13(14)17-22-15(11-26-17)18(25)23-9-3-4-12(10-23)16(24)21-8-7-20/h1-2,5-6,11-12H,3-4,7-10,20H2,(H,21,24)
InChIKeyIQKXKTCCHKXAKF-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.39
Rot. Bonds5

About N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 119480398) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID119480398
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC NameN-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)C1
InChIInChI=1S/C18H21ClN4O2S/c19-14-6-2-1-5-13(14)17-22-15(11-26-17)18(25)23-9-3-4-12(10-23)16(24)21-8-7-20/h1-2,5-6,11-12H,3-4,7-10,20H2,(H,21,24)
InChIKeyIQKXKTCCHKXAKF-UHFFFAOYSA-N
XLogP2.39
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119481732
N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479884
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480157
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 119480892
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539864
(3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide
CID 93305434
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 94352886
N-(2-aminoethyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 119482163
N-(2-aminoethyl)-1-(5-chlorothiophene-2-carbonyl)piperidine-3-carboxamide
CID 63251929
N-(2-aminoethyl)-1-(4-methylquinoline-2-carbonyl)piperidine-3-carboxamide
CID 126791837
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645704
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide (CID 119480398) is N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is IQKXKTCCHKXAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c19-14-6-2-1-5-13(14)17-22-15(11-26-17)18(25)23-9-3-4-12(10-23)16(24)21-8-7-20/h1-2,5-6,11-12H,3-4,7-10,20H2,(H,21,24).
What are the key properties of N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119480398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).