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

C11H14N2OS — CID 66398057

IUPAC[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
SMILESCc1ncsc1CCn1ccc(CO)c1
InChIInChI=1S/C11H14N2OS/c1-9-11(15-8-12-9)3-5-13-4-2-10(6-13)7-14/h2,4,6,8,14H,3,5,7H2,1H3
InChIKeyDGNDQWCUBJIMQI-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.99
Rot. Bonds4

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

[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol (PubChem CID 66398057) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
PubChem CID66398057
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
SMILESCc1ncsc1CCn1ccc(CO)c1
InChIInChI=1S/C11H14N2OS/c1-9-11(15-8-12-9)3-5-13-4-2-10(6-13)7-14/h2,4,6,8,14H,3,5,7H2,1H3
InChIKeyDGNDQWCUBJIMQI-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol (CID 66398057) is [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol is Cc1ncsc1CCn1ccc(CO)c1.
What is the InChIKey of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol?
The InChIKey is DGNDQWCUBJIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-9-11(15-8-12-9)3-5-13-4-2-10(6-13)7-14/h2,4,6,8,14H,3,5,7H2,1H3.
What are the key properties of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol?
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol has a molecular weight of 222.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66398057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).