(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol

C14H17NOS — CID 105131004

IUPAC(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2scnc2C)c1
InChIInChI=1S/C14H17NOS/c1-3-5-11-6-4-7-12(8-11)13(16)14-10(2)15-9-17-14/h4,6-9,13,16H,3,5H2,1-2H3
InChIKeyZGKRGRDVTSQUKW-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.49
Rot. Bonds4

About (4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol

(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol (PubChem CID 105131004) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol
PubChem CID105131004
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2scnc2C)c1
InChIInChI=1S/C14H17NOS/c1-3-5-11-6-4-7-12(8-11)13(16)14-10(2)15-9-17-14/h4,6-9,13,16H,3,5H2,1-2H3
InChIKeyZGKRGRDVTSQUKW-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
CID 115838108
(3-methoxythiophen-2-yl)-(3-propylphenyl)methanol
CID 115838098
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044
(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol
CID 116542830
(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101846
(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol
CID 116543803
1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105171257
(3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
CID 116543622
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
(3-fluoro-5-methylphenyl)-(3-propylphenyl)methanol
CID 116543763
(2-methyl-1,3-oxazol-4-yl)-(3-propylphenyl)methanol
CID 114282576
(4-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101844

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol (CID 105131004) is (4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol is CCCc1cccc(C(O)c2scnc2C)c1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol?
The InChIKey is ZGKRGRDVTSQUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-5-11-6-4-7-12(8-11)13(16)14-10(2)15-9-17-14/h4,6-9,13,16H,3,5H2,1-2H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol?
(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol has a molecular weight of 247.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol is sourced from PubChem (CID 105131004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).