cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride

C12H17ClN2OS — CID 71692447

IUPACcyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C12H16N2OS.ClH/c15-12(10-1-2-10)14-6-3-9(4-7-14)11-13-5-8-16-11;/h5,8-10H,1-4,6-7H2;1H
InChIKeyYHTKXXNAXZBVNQ-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.68
Rot. Bonds2

About cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride

cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 71692447) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
PubChem CID71692447
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Namecyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C12H16N2OS.ClH/c15-12(10-1-2-10)14-6-3-9(4-7-14)11-13-5-8-16-11;/h5,8-10H,1-4,6-7H2;1H
InChIKeyYHTKXXNAXZBVNQ-UHFFFAOYSA-N
XLogP2.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120799663
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97154928
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120940784
(2-chloro-6-fluorophenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289794
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110289798
(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289762

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride (CID 71692447) is cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride is Cl.O=C(C1CC1)N1CCC(c2nccs2)CC1.
What is the InChIKey of cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is YHTKXXNAXZBVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS.ClH/c15-12(10-1-2-10)14-6-3-9(4-7-14)11-13-5-8-16-11;/h5,8-10H,1-4,6-7H2;1H.
What are the key properties of cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride?
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 71692447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).