2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol

C16H21NOS — CID 82431478

IUPAC2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol
SMILESCCCc1nc(Cc2ccccc2)sc1C(C)(C)O
InChIInChI=1S/C16H21NOS/c1-4-8-13-15(16(2,3)18)19-14(17-13)11-12-9-6-5-7-10-12/h5-7,9-10,18H,4,8,11H2,1-3H3
InChIKeyMAUPAPGNCDIURL-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.91
Rot. Bonds5

About 2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol

2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol (PubChem CID 82431478) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol
PubChem CID82431478
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol
SMILESCCCc1nc(Cc2ccccc2)sc1C(C)(C)O
InChIInChI=1S/C16H21NOS/c1-4-8-13-15(16(2,3)18)19-14(17-13)11-12-9-6-5-7-10-12/h5-7,9-10,18H,4,8,11H2,1-3H3
InChIKeyMAUPAPGNCDIURL-UHFFFAOYSA-N
XLogP3.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol (CID 82431478) is 2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol is CCCc1nc(Cc2ccccc2)sc1C(C)(C)O.
What is the InChIKey of 2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is MAUPAPGNCDIURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-8-13-15(16(2,3)18)19-14(17-13)11-12-9-6-5-7-10-12/h5-7,9-10,18H,4,8,11H2,1-3H3.
What are the key properties of 2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol?
2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 275.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 82431478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).