N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride

C17H22ClN3OS2 — CID 119313836

IUPACN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1csc(Sc2ccc(NC(=O)C3CCNCC3)c(C)c2)n1.Cl
InChIInChI=1S/C17H21N3OS2.ClH/c1-11-9-14(23-17-19-12(2)10-22-17)3-4-15(11)20-16(21)13-5-7-18-8-6-13;/h3-4,9-10,13,18H,5-8H2,1-2H3,(H,20,21);1H
InChIKeyMBRBWTMQNTUSKY-UHFFFAOYSA-N
MW383.97 g/mol
LogP4.27
Rot. Bonds4

About N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride

N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119313836) has the molecular formula C17H22ClN3OS2 and a molecular weight of 383.97 g/mol. Its IUPAC name is N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119313836
Molecular FormulaC17H22ClN3OS2
Molecular Weight383.97 g/mol
Exact Mass383.09
IUPAC NameN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1csc(Sc2ccc(NC(=O)C3CCNCC3)c(C)c2)n1.Cl
InChIInChI=1S/C17H21N3OS2.ClH/c1-11-9-14(23-17-19-12(2)10-22-17)3-4-15(11)20-16(21)13-5-7-18-8-6-13;/h3-4,9-10,13,18H,5-8H2,1-2H3,(H,20,21);1H
InChIKeyMBRBWTMQNTUSKY-UHFFFAOYSA-N
XLogP4.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.97
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119766849
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide
CID 47093016
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938453
4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride
CID 120561971
N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119766390
N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide
CID 119309241
N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119765619
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944554
3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide
CID 119766280
N-(4-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 43706641
1-[(2R)-2-cyanopropyl]-3-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]urea
CID 97068214
N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pyrrolidine-3-carboxamide
CID 119759000

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride (CID 119313836) is N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride is Cc1csc(Sc2ccc(NC(=O)C3CCNCC3)c(C)c2)n1.Cl.
What is the InChIKey of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is MBRBWTMQNTUSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2.ClH/c1-11-9-14(23-17-19-12(2)10-22-17)3-4-15(11)20-16(21)13-5-7-18-8-6-13;/h3-4,9-10,13,18H,5-8H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride?
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 383.97 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119313836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).