N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride

C11H19Cl2N3OS — CID 119861838

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCc1ncc(CNC(=O)C2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-13-6-10(16-8)7-14-11(15)9-2-4-12-5-3-9;;/h6,9,12H,2-5,7H2,1H3,(H,14,15);2*1H
InChIKeyFZHIUNRVYGKUOT-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.91
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride

N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119861838) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119861838
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCc1ncc(CNC(=O)C2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-13-6-10(16-8)7-14-11(15)9-2-4-12-5-3-9;;/h6,9,12H,2-5,7H2,1H3,(H,14,15);2*1H
InChIKeyFZHIUNRVYGKUOT-UHFFFAOYSA-N
XLogP1.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63714175
5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688301
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 103598368
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
CID 106371216
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284575
4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390786
4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120645205
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901391
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 119861868
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119861848
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride (CID 119861838) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride is Cc1ncc(CNC(=O)C2CCNCC2)s1.Cl.Cl.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is FZHIUNRVYGKUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c1-8-13-6-10(16-8)7-14-11(15)9-2-4-12-5-3-9;;/h6,9,12H,2-5,7H2,1H3,(H,14,15);2*1H.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119861838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).