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

C13H22N2OS — CID 82424724

IUPAC2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC1CCCCN1Cc1ncc(C(C)(C)O)s1
InChIInChI=1S/C13H22N2OS/c1-10-6-4-5-7-15(10)9-12-14-8-11(17-12)13(2,3)16/h8,10,16H,4-7,9H2,1-3H3
InChIKeyMVHQWVMQBMLMMO-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.74
Rot. Bonds3

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

2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82424724) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82424724
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC1CCCCN1Cc1ncc(C(C)(C)O)s1
InChIInChI=1S/C13H22N2OS/c1-10-6-4-5-7-15(10)9-12-14-8-11(17-12)13(2,3)16/h8,10,16H,4-7,9H2,1-3H3
InChIKeyMVHQWVMQBMLMMO-UHFFFAOYSA-N
XLogP2.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82424687
2-[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82425139
2-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82427472
[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 120841208
[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 120841207
2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191362
2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82439419
N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82439416
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432975
4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227364
1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 82427476
1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone
CID 82515560

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol (CID 82424724) is 2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol is CC1CCCCN1Cc1ncc(C(C)(C)O)s1.
What is the InChIKey of 2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is MVHQWVMQBMLMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-6-4-5-7-15(10)9-12-14-8-11(17-12)13(2,3)16/h8,10,16H,4-7,9H2,1-3H3.
What are the key properties of 2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 254.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82424724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).