3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol

C13H15NOS — CID 115039739

IUPAC3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol
SMILESCc1cccc(-c2csc(CCCO)n2)c1
InChIInChI=1S/C13H15NOS/c1-10-4-2-5-11(8-10)12-9-16-13(14-12)6-3-7-15/h2,4-5,8-9,15H,3,6-7H2,1H3
InChIKeyDTBKZNBCPNQDGU-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.04
Rot. Bonds4

About 3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol

3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol (PubChem CID 115039739) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol
PubChem CID115039739
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol
SMILESCc1cccc(-c2csc(CCCO)n2)c1
InChIInChI=1S/C13H15NOS/c1-10-4-2-5-11(8-10)12-9-16-13(14-12)6-3-7-15/h2,4-5,8-9,15H,3,6-7H2,1H3
InChIKeyDTBKZNBCPNQDGU-UHFFFAOYSA-N
XLogP3.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653041
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol
CID 115043402
2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966783
3-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 116965577
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116965587
N'-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]heptanediamide
CID 171617300
2-[6-(3-methylphenyl)-2-pyridinyl]ethanol
CID 117001692
3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62668340
4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
CID 116968174

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol (CID 115039739) is 3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol is Cc1cccc(-c2csc(CCCO)n2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol?
The InChIKey is DTBKZNBCPNQDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-4-2-5-11(8-10)12-9-16-13(14-12)6-3-7-15/h2,4-5,8-9,15H,3,6-7H2,1H3.
What are the key properties of 3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol?
3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol has a molecular weight of 233.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol is sourced from PubChem (CID 115039739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).