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

C13H16N2OS — CID 136988709

IUPAC[1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
SMILESCc1nc(-c2ccc[nH]2)sc1C1(CO)CCC1
InChIInChI=1S/C13H16N2OS/c1-9-11(13(8-16)5-3-6-13)17-12(15-9)10-4-2-7-14-10/h2,4,7,14,16H,3,5-6,8H2,1H3
InChIKeyINBHSACGILCOFX-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.86
Rot. Bonds3

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

[1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol (PubChem CID 136988709) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
PubChem CID136988709
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
SMILESCc1nc(-c2ccc[nH]2)sc1C1(CO)CCC1
InChIInChI=1S/C13H16N2OS/c1-9-11(13(8-16)5-3-6-13)17-12(15-9)10-4-2-7-14-10/h2,4,7,14,16H,3,5-6,8H2,1H3
InChIKeyINBHSACGILCOFX-UHFFFAOYSA-N
XLogP2.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol?
The IUPAC name of [1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol (CID 136988709) is [1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol.
What is the SMILES notation for [1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol?
The canonical SMILES for [1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol is Cc1nc(-c2ccc[nH]2)sc1C1(CO)CCC1.
What is the InChIKey of [1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol?
The InChIKey is INBHSACGILCOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-11(13(8-16)5-3-6-13)17-12(15-9)10-4-2-7-14-10/h2,4,7,14,16H,3,5-6,8H2,1H3.
What are the key properties of [1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol?
[1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol has a molecular weight of 248.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol is sourced from PubChem (CID 136988709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).