[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol

C9H10N2OS — CID 112641648

IUPAC[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2cncs2)c1
InChIInChI=1S/C9H10N2OS/c12-6-8-1-2-11(4-8)5-9-3-10-7-13-9/h1-4,7,12H,5-6H2
InChIKeyLZIBFGAUEQVPPR-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.49
Rot. Bonds3

About [1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol

[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol (PubChem CID 112641648) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is [1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol
PubChem CID112641648
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2cncs2)c1
InChIInChI=1S/C9H10N2OS/c12-6-8-1-2-11(4-8)5-9-3-10-7-13-9/h1-4,7,12H,5-6H2
InChIKeyLZIBFGAUEQVPPR-UHFFFAOYSA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol (CID 112641648) is [1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol is OCc1ccn(Cc2cncs2)c1.
What is the InChIKey of [1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol?
The InChIKey is LZIBFGAUEQVPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c12-6-8-1-2-11(4-8)5-9-3-10-7-13-9/h1-4,7,12H,5-6H2.
What are the key properties of [1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol?
[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol has a molecular weight of 194.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 112641648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).