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

C13H22ClN3OS — CID 120637143

IUPAC(2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1nccs1.Cl
InChIInChI=1S/C13H21N3OS.ClH/c1-3-11(13-15-6-7-18-13)16-12(17)10-4-5-14-9(2)8-10;/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,16,17);1H/t9-,10-,11?;/m0./s1
InChIKeyJGQNUBGCAVCXHH-DKPKQKKESA-N
MW303.86 g/mol
LogP2.52
Rot. Bonds4

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

(2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120637143) has the molecular formula C13H22ClN3OS and a molecular weight of 303.86 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120637143
Molecular FormulaC13H22ClN3OS
Molecular Weight303.86 g/mol
Exact Mass303.12
IUPAC Name(2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1nccs1.Cl
InChIInChI=1S/C13H21N3OS.ClH/c1-3-11(13-15-6-7-18-13)16-12(17)10-4-5-14-9(2)8-10;/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,16,17);1H/t9-,10-,11?;/m0./s1
InChIKeyJGQNUBGCAVCXHH-DKPKQKKESA-N
XLogP2.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 79384523
1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
CID 72871127
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120618239
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740581
N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469799
N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 114421565
N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354273
(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634916
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815807

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride (CID 120637143) is (2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride is CCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1nccs1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is JGQNUBGCAVCXHH-DKPKQKKESA-N. The full InChI is InChI=1S/C13H21N3OS.ClH/c1-3-11(13-15-6-7-18-13)16-12(17)10-4-5-14-9(2)8-10;/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,16,17);1H/t9-,10-,11?;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 303.86 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).