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

C8H8N2OS — CID 136988851

IUPAC[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-c2cc[nH]c2)n1
InChIInChI=1S/C8H8N2OS/c11-4-7-5-12-8(10-7)6-1-2-9-3-6/h1-3,5,9,11H,4H2
InChIKeyBUAQVXZQFZNWLO-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.63
Rot. Bonds2

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

[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 136988851) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is [2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
PubChem CID136988851
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-c2cc[nH]c2)n1
InChIInChI=1S/C8H8N2OS/c11-4-7-5-12-8(10-7)6-1-2-9-3-6/h1-3,5,9,11H,4H2
InChIKeyBUAQVXZQFZNWLO-UHFFFAOYSA-N
XLogP1.63
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
CID 136988898
4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988832
[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988830
3-methyl-3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]butanoic acid
CID 136988866
4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889589
[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanol
CID 107504757
[3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine
CID 136988983
3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetane-3-carbonitrile
CID 136988976
[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966914
3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde
CID 155289704
[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol
CID 66801740

Frequently Asked Questions

What is the IUPAC name of [2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol (CID 136988851) is [2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol is OCc1csc(-c2cc[nH]c2)n1.
What is the InChIKey of [2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is BUAQVXZQFZNWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c11-4-7-5-12-8(10-7)6-1-2-9-3-6/h1-3,5,9,11H,4H2.
What are the key properties of [2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol?
[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 180.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 136988851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).