1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol

C9H13ClN2OS — CID 131207459

IUPAC1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol
SMILESCC1C(O)CCCN1c1nc(Cl)cs1
InChIInChI=1S/C9H13ClN2OS/c1-6-7(13)3-2-4-12(6)9-11-8(10)5-14-9/h5-7,13H,2-4H2,1H3
InChIKeyVBGNHGOEAGNCPH-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.15
Rot. Bonds1

About 1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol

1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol (PubChem CID 131207459) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol
PubChem CID131207459
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol
SMILESCC1C(O)CCCN1c1nc(Cl)cs1
InChIInChI=1S/C9H13ClN2OS/c1-6-7(13)3-2-4-12(6)9-11-8(10)5-14-9/h5-7,13H,2-4H2,1H3
InChIKeyVBGNHGOEAGNCPH-UHFFFAOYSA-N
XLogP2.15
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83152836
4-(4-chloro-1,3-thiazol-2-yl)-3-methyl-1,4-oxazepane
CID 130804649
1-[1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 83155383
1-(4-chloro-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 83155605
2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole
CID 131043281
4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole
CID 83156244
(3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol
CID 104892830
4-(chloromethyl)-2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazole
CID 62122876
2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine
CID 83155436
4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole
CID 83155623
4-(4-methyl-1,3-dioxetan-2-yl)-2-[(2S)-2-methylpyrrolidin-1-yl]-1,3-thiazole
CID 70845679
1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine
CID 83157211

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol?
The IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol (CID 131207459) is 1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol.
What is the SMILES notation for 1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol?
The canonical SMILES for 1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol is CC1C(O)CCCN1c1nc(Cl)cs1.
What is the InChIKey of 1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol?
The InChIKey is VBGNHGOEAGNCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-6-7(13)3-2-4-12(6)9-11-8(10)5-14-9/h5-7,13H,2-4H2,1H3.
What are the key properties of 1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol?
1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol has a molecular weight of 232.74 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol is sourced from PubChem (CID 131207459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).