(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride

C12H21Cl2N3OS — CID 119859299

IUPAC(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCc1ncc(CN(C)C(=O)[C@@H]2CCCCN2)s1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-9-14-7-10(17-9)8-15(2)12(16)11-5-3-4-6-13-11;;/h7,11,13H,3-6,8H2,1-2H3;2*1H/t11-;;/m0../s1
InChIKeyIFFGHUDQDNTEMV-IDMXKUIJSA-N
MW326.29 g/mol
LogP2.40
Rot. Bonds3

About (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride

(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119859299) has the molecular formula C12H21Cl2N3OS and a molecular weight of 326.29 g/mol. Its IUPAC name is (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119859299
Molecular FormulaC12H21Cl2N3OS
Molecular Weight326.29 g/mol
Exact Mass325.08
IUPAC Name(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCc1ncc(CN(C)C(=O)[C@@H]2CCCCN2)s1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-9-14-7-10(17-9)8-15(2)12(16)11-5-3-4-6-13-11;;/h7,11,13H,3-6,8H2,1-2H3;2*1H/t11-;;/m0../s1
InChIKeyIFFGHUDQDNTEMV-IDMXKUIJSA-N
XLogP2.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide
CID 54872657
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119859306
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-2-carboxamide
CID 64561642
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76895037
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119293813
N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958234
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119956917

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride (CID 119859299) is (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride is Cc1ncc(CN(C)C(=O)[C@@H]2CCCCN2)s1.Cl.Cl.
What is the InChIKey of (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is IFFGHUDQDNTEMV-IDMXKUIJSA-N. The full InChI is InChI=1S/C12H19N3OS.2ClH/c1-9-14-7-10(17-9)8-15(2)12(16)11-5-3-4-6-13-11;;/h7,11,13H,3-6,8H2,1-2H3;2*1H/t11-;;/m0../s1.
What are the key properties of (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 326.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119859299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).