2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol

C16H28N2OS — CID 82432994

IUPAC2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCc1nc(CN2CCCC(C)C2)sc1C(C)(C)O
InChIInChI=1S/C16H28N2OS/c1-5-7-13-15(16(3,4)19)20-14(17-13)11-18-9-6-8-12(2)10-18/h12,19H,5-11H2,1-4H3
InChIKeyJAXQLWDRSGLCKQ-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.55
Rot. Bonds5

About 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol

2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82432994) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82432994
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCc1nc(CN2CCCC(C)C2)sc1C(C)(C)O
InChIInChI=1S/C16H28N2OS/c1-5-7-13-15(16(3,4)19)20-14(17-13)11-18-9-6-8-12(2)10-18/h12,19H,5-11H2,1-4H3
InChIKeyJAXQLWDRSGLCKQ-UHFFFAOYSA-N
XLogP3.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82430536
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432991
[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82441519
2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82427519
N-[[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82430524
2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82432189
2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82430560
[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82437638
[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427494
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432975
5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 82424746
3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82437655

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol (CID 82432994) is 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol is CCCc1nc(CN2CCCC(C)C2)sc1C(C)(C)O.
What is the InChIKey of 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is JAXQLWDRSGLCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-7-13-15(16(3,4)19)20-14(17-13)11-18-9-6-8-12(2)10-18/h12,19H,5-11H2,1-4H3.
What are the key properties of 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 296.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82432994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).