(4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol

C14H15NOS — CID 23510350

IUPAC(4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol
SMILESC=CCc1csnc1C(O)c1ccc(C)cc1
InChIInChI=1S/C14H15NOS/c1-3-4-12-9-17-15-13(12)14(16)11-7-5-10(2)6-8-11/h3,5-9,14,16H,1,4H2,2H3
InChIKeyRDRUINHNXPYKPX-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.26
Rot. Bonds4

About (4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol

(4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol (PubChem CID 23510350) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol
PubChem CID23510350
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol
SMILESC=CCc1csnc1C(O)c1ccc(C)cc1
InChIInChI=1S/C14H15NOS/c1-3-4-12-9-17-15-13(12)14(16)11-7-5-10(2)6-8-11/h3,5-9,14,16H,1,4H2,2H3
InChIKeyRDRUINHNXPYKPX-UHFFFAOYSA-N
XLogP3.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol?
The IUPAC name of (4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol (CID 23510350) is (4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol?
The canonical SMILES for (4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol is C=CCc1csnc1C(O)c1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol?
The InChIKey is RDRUINHNXPYKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-3-4-12-9-17-15-13(12)14(16)11-7-5-10(2)6-8-11/h3,5-9,14,16H,1,4H2,2H3.
What are the key properties of (4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol?
(4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol has a molecular weight of 245.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-prop-2-enyl-1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 23510350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).