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

C9H14N2OS — CID 115088342

IUPAC[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol
SMILESCN1CCCC1c1nc(CO)cs1
InChIInChI=1S/C9H14N2OS/c1-11-4-2-3-8(11)9-10-7(5-12)6-13-9/h6,8,12H,2-5H2,1H3
InChIKeyAJWYGZIIYRDJTF-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.40
Rot. Bonds2

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

[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 115088342) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is [2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol
PubChem CID115088342
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol
SMILESCN1CCCC1c1nc(CO)cs1
InChIInChI=1S/C9H14N2OS/c1-11-4-2-3-8(11)9-10-7(5-12)6-13-9/h6,8,12H,2-5H2,1H3
InChIKeyAJWYGZIIYRDJTF-UHFFFAOYSA-N
XLogP1.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol
CID 79666984
1-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115088531
[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol
CID 107924752
[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115088901
N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79666713
methyl 3-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107039750
2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115035664
4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole
CID 143251676
2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol
CID 10215951
3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088447
[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087908
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol (CID 115088342) is [2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol is CN1CCCC1c1nc(CO)cs1.
What is the InChIKey of [2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is AJWYGZIIYRDJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-11-4-2-3-8(11)9-10-7(5-12)6-13-9/h6,8,12H,2-5H2,1H3.
What are the key properties of [2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol?
[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 198.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 115088342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).