2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride

C11H17ClN4O2S — CID 120634432

IUPAC2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2nc(C(N)=O)cs2)CCN1.Cl
InChIInChI=1S/C11H16N4O2S.ClH/c1-6-4-7(2-3-13-6)10(17)15-11-14-8(5-18-11)9(12)16;/h5-7,13H,2-4H2,1H3,(H2,12,16)(H,14,15,17);1H/t6-,7-;/m0./s1
InChIKeyXNCBXMOAYBZGKT-LEUCUCNGSA-N
MW304.80 g/mol
LogP0.99
Rot. Bonds3

About 2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride

2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120634432) has the molecular formula C11H17ClN4O2S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120634432
Molecular FormulaC11H17ClN4O2S
Molecular Weight304.80 g/mol
Exact Mass304.08
IUPAC Name2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2nc(C(N)=O)cs2)CCN1.Cl
InChIInChI=1S/C11H16N4O2S.ClH/c1-6-4-7(2-3-13-6)10(17)15-11-14-8(5-18-11)9(12)16;/h5-7,13H,2-4H2,1H3,(H2,12,16)(H,14,15,17);1H/t6-,7-;/m0./s1
InChIKeyXNCBXMOAYBZGKT-LEUCUCNGSA-N
XLogP0.99
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637089
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 106738614
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120620807
(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120625071
(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 120637532
(2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120624142
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpiperidine-4-carboxamide
CID 106739831
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640813
(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634916
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120634432) is 2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2nc(C(N)=O)cs2)CCN1.Cl.
What is the InChIKey of 2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is XNCBXMOAYBZGKT-LEUCUCNGSA-N. The full InChI is InChI=1S/C11H16N4O2S.ClH/c1-6-4-7(2-3-13-6)10(17)15-11-14-8(5-18-11)9(12)16;/h5-7,13H,2-4H2,1H3,(H2,12,16)(H,14,15,17);1H/t6-,7-;/m0./s1.
What are the key properties of 2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride?
2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 304.80 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).