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

C9H10N2OS — CID 56923516

IUPAC(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol
SMILESCc1nc(-n2cccc2)sc1CO
InChIInChI=1S/C9H10N2OS/c1-7-8(6-12)13-9(10-7)11-4-2-3-5-11/h2-5,12H,6H2,1H3
InChIKeyHGQWDSJXKZJLAN-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.73
Rot. Bonds2

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

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol (PubChem CID 56923516) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol
PubChem CID56923516
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol
SMILESCc1nc(-n2cccc2)sc1CO
InChIInChI=1S/C9H10N2OS/c1-7-8(6-12)13-9(10-7)11-4-2-3-5-11/h2-5,12H,6H2,1H3
InChIKeyHGQWDSJXKZJLAN-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol (CID 56923516) is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol is Cc1nc(-n2cccc2)sc1CO.
What is the InChIKey of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is HGQWDSJXKZJLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-7-8(6-12)13-9(10-7)11-4-2-3-5-11/h2-5,12H,6H2,1H3.
What are the key properties of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol?
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol has a molecular weight of 194.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 56923516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).