[(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol

C13H20N2OS — CID 97150514

IUPAC[(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol
SMILESOC[C@]1(CC2CC2)CCCN(c2nccs2)C1
InChIInChI=1S/C13H20N2OS/c16-10-13(8-11-2-3-11)4-1-6-15(9-13)12-14-5-7-17-12/h5,7,11,16H,1-4,6,8-10H2/t13-/m0/s1
InChIKeyZZSONJWTMWSLOU-ZDUSSCGKSA-N
MW252.38 g/mol
LogP2.52
Rot. Bonds4

About [(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol

[(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol (PubChem CID 97150514) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol
PubChem CID97150514
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol
SMILESOC[C@]1(CC2CC2)CCCN(c2nccs2)C1
InChIInChI=1S/C13H20N2OS/c16-10-13(8-11-2-3-11)4-1-6-15(9-13)12-14-5-7-17-12/h5,7,11,16H,1-4,6,8-10H2/t13-/m0/s1
InChIKeyZZSONJWTMWSLOU-ZDUSSCGKSA-N
XLogP2.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile
CID 97151960
[(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol
CID 97153137
[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97134124
2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole
CID 97393771
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
2-(2,7-diazaspiro[4.5]decan-7-yl)-1,3-thiazole
CID 122559168
2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol
CID 97472802
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 56865026
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133298967
1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 72900277
3-cyclopropyl-5-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 75375798

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol (CID 97150514) is [(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol is OC[C@]1(CC2CC2)CCCN(c2nccs2)C1.
What is the InChIKey of [(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol?
The InChIKey is ZZSONJWTMWSLOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2OS/c16-10-13(8-11-2-3-11)4-1-6-15(9-13)12-14-5-7-17-12/h5,7,11,16H,1-4,6,8-10H2/t13-/m0/s1.
What are the key properties of [(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol?
[(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol has a molecular weight of 252.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 97150514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).