[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol

C15H17NOS — CID 116966908

IUPAC[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol
SMILESCc1ccc(-c2csc(C3(CO)CC3)n2)c(C)c1
InChIInChI=1S/C15H17NOS/c1-10-3-4-12(11(2)7-10)13-8-18-14(16-13)15(9-17)5-6-15/h3-4,7-8,17H,5-6,9H2,1-2H3
InChIKeyTZTQZNFNKPZHRZ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.45
Rot. Bonds3

About [1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol

[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol (PubChem CID 116966908) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is [1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol
PubChem CID116966908
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol
SMILESCc1ccc(-c2csc(C3(CO)CC3)n2)c(C)c1
InChIInChI=1S/C15H17NOS/c1-10-3-4-12(11(2)7-10)13-8-18-14(16-13)15(9-17)5-6-15/h3-4,7-8,17H,5-6,9H2,1-2H3
InChIKeyTZTQZNFNKPZHRZ-UHFFFAOYSA-N
XLogP3.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964953
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 82121806
[1-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropyl]methanol
CID 116966897
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
4-(2,4-dimethylphenyl)-2-methoxy-1,3-thiazole
CID 116967726
4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969941
[1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]cyclobutyl]methanol
CID 116865623
1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119685811
[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966914
4-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 55027261
4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2059129
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 116965093

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol?
The IUPAC name of [1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol (CID 116966908) is [1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol is Cc1ccc(-c2csc(C3(CO)CC3)n2)c(C)c1.
What is the InChIKey of [1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol?
The InChIKey is TZTQZNFNKPZHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10-3-4-12(11(2)7-10)13-8-18-14(16-13)15(9-17)5-6-15/h3-4,7-8,17H,5-6,9H2,1-2H3.
What are the key properties of [1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol?
[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol has a molecular weight of 259.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 116966908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).