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

C14H25Cl2N3OS — CID 119890048

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1nc(C(C)(C)NC(=O)C2CCCNC2)sc1C.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-9-10(2)19-13(16-9)14(3,4)17-12(18)11-6-5-7-15-8-11;;/h11,15H,5-8H2,1-4H3,(H,17,18);2*1H
InChIKeyVASDKKSCFCJMFU-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.95
Rot. Bonds3

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

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119890048) has the molecular formula C14H25Cl2N3OS and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119890048
Molecular FormulaC14H25Cl2N3OS
Molecular Weight354.35 g/mol
Exact Mass353.11
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1nc(C(C)(C)NC(=O)C2CCCNC2)sc1C.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-9-10(2)19-13(16-9)14(3,4)17-12(18)11-6-5-7-15-8-11;;/h11,15H,5-8H2,1-4H3,(H,17,18);2*1H
InChIKeyVASDKKSCFCJMFU-UHFFFAOYSA-N
XLogP2.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673743
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119890064
N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide
CID 110471917
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119279901
(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 94916867
N-[2-(4-fluorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 110462380
2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133383
N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119337743
3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81133598
N-[2-(3,4-difluorophenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119338110
2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79798226

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride (CID 119890048) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride is Cc1nc(C(C)(C)NC(=O)C2CCCNC2)sc1C.Cl.Cl.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is VASDKKSCFCJMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.2ClH/c1-9-10(2)19-13(16-9)14(3,4)17-12(18)11-6-5-7-15-8-11;;/h11,15H,5-8H2,1-4H3,(H,17,18);2*1H.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 354.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119890048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).