[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol

C14H17NO2S — CID 116887023

IUPAC[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
SMILESCc1ccc(-c2nc(C)c(C3(CO)CCC3)s2)o1
InChIInChI=1S/C14H17NO2S/c1-9-4-5-11(17-9)13-15-10(2)12(18-13)14(8-16)6-3-7-14/h4-5,16H,3,6-8H2,1-2H3
InChIKeyYTWNPJYPTHSLLQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.43
Rot. Bonds3

About [1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol

[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol (PubChem CID 116887023) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is [1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
PubChem CID116887023
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
SMILESCc1ccc(-c2nc(C)c(C3(CO)CCC3)s2)o1
InChIInChI=1S/C14H17NO2S/c1-9-4-5-11(17-9)13-15-10(2)12(18-13)14(8-16)6-3-7-14/h4-5,16H,3,6-8H2,1-2H3
InChIKeyYTWNPJYPTHSLLQ-UHFFFAOYSA-N
XLogP3.43
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclobutyl]methanol
CID 116887020
[1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
CID 136988709
2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol
CID 116885384
2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
CID 119214814
[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutyl]methanol
CID 116887012
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 116868204
5-methoxy-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 116887586
4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]butanoic acid
CID 116885461
2-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propanoic acid
CID 116885480
[3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)oxetan-3-yl]methanol
CID 116887096
methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate
CID 116886343
1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884656

Frequently Asked Questions

What is the IUPAC name of [1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol?
The IUPAC name of [1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol (CID 116887023) is [1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol.
What is the SMILES notation for [1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol?
The canonical SMILES for [1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol is Cc1ccc(-c2nc(C)c(C3(CO)CCC3)s2)o1.
What is the InChIKey of [1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol?
The InChIKey is YTWNPJYPTHSLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9-4-5-11(17-9)13-15-10(2)12(18-13)14(8-16)6-3-7-14/h4-5,16H,3,6-8H2,1-2H3.
What are the key properties of [1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol?
[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol has a molecular weight of 263.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol is sourced from PubChem (CID 116887023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).