(2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride

C18H24ClN3OS — CID 164897606

IUPAC(2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1ncsc1-c1ccc(C(C)N2CCCC[C@H]2C(N)=O)cc1.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-12-17(23-11-20-12)15-8-6-14(7-9-15)13(2)21-10-4-3-5-16(21)18(19)22;/h6-9,11,13,16H,3-5,10H2,1-2H3,(H2,19,22);1H/t13?,16-;/m0./s1
InChIKeyNZZXVALWZJCHNI-GPPWNDLUSA-N
MW365.93 g/mol
LogP3.94
Rot. Bonds4

About (2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride

(2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 164897606) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is (2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID164897606
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name(2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1ncsc1-c1ccc(C(C)N2CCCC[C@H]2C(N)=O)cc1.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-12-17(23-11-20-12)15-8-6-14(7-9-15)13(2)21-10-4-3-5-16(21)18(19)22;/h6-9,11,13,16H,3-5,10H2,1-2H3,(H2,19,22);1H/t13?,16-;/m0./s1
InChIKeyNZZXVALWZJCHNI-GPPWNDLUSA-N
XLogP3.94
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 164705218
(2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 155774612
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 175959995
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166996489
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 55016470
2,2-dimethylpropan-1-amine;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 142464569
(2S)-1-(3,3-dimethylbutanoyl)-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166535505
ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate
CID 177224522
(2S)-1-[(Z,2R)-5-amino-3-oxo-2-propan-2-ylpent-4-enoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 139577005
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166535598

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride (CID 164897606) is (2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride is Cc1ncsc1-c1ccc(C(C)N2CCCC[C@H]2C(N)=O)cc1.Cl.
What is the InChIKey of (2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is NZZXVALWZJCHNI-GPPWNDLUSA-N. The full InChI is InChI=1S/C18H23N3OS.ClH/c1-12-17(23-11-20-12)15-8-6-14(7-9-15)13(2)21-10-4-3-5-16(21)18(19)22;/h6-9,11,13,16H,3-5,10H2,1-2H3,(H2,19,22);1H/t13?,16-;/m0./s1.
What are the key properties of (2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride?
(2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 365.93 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 164897606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).