2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C17H20Cl2N4O2S — CID 119711879

IUPAC2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cs1
InChIInChI=1S/C17H19ClN4O2S.ClH/c18-11-4-5-12(17(24)22-6-2-1-3-7-22)13(8-11)21-16(23)14-10-25-15(9-19)20-14;/h4-5,8,10H,1-3,6-7,9,19H2,(H,21,23);1H
InChIKeyDZZYKNOIBYJKQR-UHFFFAOYSA-N
MW415.35 g/mol
LogP3.56
Rot. Bonds4

About 2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119711879) has the molecular formula C17H20Cl2N4O2S and a molecular weight of 415.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119711879
Molecular FormulaC17H20Cl2N4O2S
Molecular Weight415.35 g/mol
Exact Mass414.07
IUPAC Name2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cs1
InChIInChI=1S/C17H19ClN4O2S.ClH/c18-11-4-5-12(17(24)22-6-2-1-3-7-22)13(8-11)21-16(23)14-10-25-15(9-19)20-14;/h4-5,8,10H,1-3,6-7,9,19H2,(H,21,23);1H
InChIKeyDZZYKNOIBYJKQR-UHFFFAOYSA-N
XLogP3.56
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119684716
2-(aminomethyl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119759911
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 66377445
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 8868793
2-(2-aminoethyl)-N-[4-(azepane-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624449
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 51147954
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone
CID 119747808
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119704882
2-(aminomethyl)-N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119841775
2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66375672

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119711879) is 2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCc1nc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is DZZYKNOIBYJKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S.ClH/c18-11-4-5-12(17(24)22-6-2-1-3-7-22)13(8-11)21-16(23)14-10-25-15(9-19)20-14;/h4-5,8,10H,1-3,6-7,9,19H2,(H,21,23);1H.
What are the key properties of 2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 415.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119711879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).