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

C9H10N2OS — CID 66399961

IUPAC[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2cscn2)c1
InChIInChI=1S/C9H10N2OS/c12-5-8-1-2-11(3-8)4-9-6-13-7-10-9/h1-3,6-7,12H,4-5H2
InChIKeyFNHGMUFTYSSWIT-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.49
Rot. Bonds3

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

[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol (PubChem CID 66399961) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is [1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol
PubChem CID66399961
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2cscn2)c1
InChIInChI=1S/C9H10N2OS/c12-5-8-1-2-11(3-8)4-9-6-13-7-10-9/h1-3,6-7,12H,4-5H2
InChIKeyFNHGMUFTYSSWIT-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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Related Compounds

1-[1-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanol
CID 81594342
1-[1-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanol
CID 81601783
2,2,2-Trifluoro-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanol
CID 81603711
2,2,2-Trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]ethanol
CID 81603882
2,2,2-Trifluoro-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanol
CID 81603996
2,2,2-Trifluoro-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanol
CID 81604053
1-[1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanol
CID 81604176
2,2,2-Trifluoro-1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrol-3-yl]ethanol
CID 81604187
2,2,2-Trifluoro-1-[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]ethanol
CID 81604418
1-(1-Methylpyrrol-3-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 67759052
[1-[2-(4-Methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
CID 66398057
[1-(Thiophen-3-ylmethyl)pyrrol-3-yl]methanol
CID 66398069

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol (CID 66399961) is [1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol is OCc1ccn(Cc2cscn2)c1.
What is the InChIKey of [1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol?
The InChIKey is FNHGMUFTYSSWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c12-5-8-1-2-11(3-8)4-9-6-13-7-10-9/h1-3,6-7,12H,4-5H2.
What are the key properties of [1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]methanol?
[1-(1,3-thiazol-4-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-4-ylmethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 66399961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).