[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol

C16H21N3OS — CID 120905528

IUPAC[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol
SMILESNc1ncc(CN2CCCC(CO)(c3ccccc3)C2)s1
InChIInChI=1S/C16H21N3OS/c17-15-18-9-14(21-15)10-19-8-4-7-16(11-19,12-20)13-5-2-1-3-6-13/h1-3,5-6,9,20H,4,7-8,10-12H2,(H2,17,18)
InChIKeyQSHHBKFYAYVNDQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.25
Rot. Bonds4

About [1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol

[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol (PubChem CID 120905528) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is [1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol
PubChem CID120905528
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol
SMILESNc1ncc(CN2CCCC(CO)(c3ccccc3)C2)s1
InChIInChI=1S/C16H21N3OS/c17-15-18-9-14(21-15)10-19-8-4-7-16(11-19,12-20)13-5-2-1-3-6-13/h1-3,5-6,9,20H,4,7-8,10-12H2,(H2,17,18)
InChIKeyQSHHBKFYAYVNDQ-UHFFFAOYSA-N
XLogP2.25
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine
CID 120903266
5-(6-azaspiro[3.5]nonan-6-ylmethyl)-1,3-thiazol-2-amine
CID 120903504
5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903265
5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904553
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 120899146
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186
7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one
CID 120903782
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 26405340

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol?
The IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol (CID 120905528) is [1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol is Nc1ncc(CN2CCCC(CO)(c3ccccc3)C2)s1.
What is the InChIKey of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol?
The InChIKey is QSHHBKFYAYVNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c17-15-18-9-14(21-15)10-19-8-4-7-16(11-19,12-20)13-5-2-1-3-6-13/h1-3,5-6,9,20H,4,7-8,10-12H2,(H2,17,18).
What are the key properties of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol?
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol has a molecular weight of 303.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol is sourced from PubChem (CID 120905528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).