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

C14H24N2OS — CID 82427519

IUPAC2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(CN2CCC(C)CC2)sc1C(C)(C)O
InChIInChI=1S/C14H24N2OS/c1-10-5-7-16(8-6-10)9-12-15-11(2)13(18-12)14(3,4)17/h10,17H,5-9H2,1-4H3
InChIKeyNZNVLPVKUZTNMI-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.91
Rot. Bonds3

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

2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82427519) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82427519
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(CN2CCC(C)CC2)sc1C(C)(C)O
InChIInChI=1S/C14H24N2OS/c1-10-5-7-16(8-6-10)9-12-15-11(2)13(18-12)14(3,4)17/h10,17H,5-9H2,1-4H3
InChIKeyNZNVLPVKUZTNMI-UHFFFAOYSA-N
XLogP2.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol (CID 82427519) is 2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol is Cc1nc(CN2CCC(C)CC2)sc1C(C)(C)O.
What is the InChIKey of 2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is NZNVLPVKUZTNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10-5-7-16(8-6-10)9-12-15-11(2)13(18-12)14(3,4)17/h10,17H,5-9H2,1-4H3.
What are the key properties of 2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 268.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82427519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).