[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol

C12H17N3O2S — CID 102782269

IUPAC[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc3sccn3c2CO)C1CO
InChIInChI=1S/C12H17N3O2S/c1-8-2-3-14(9(8)6-16)11-10(7-17)15-4-5-18-12(15)13-11/h4-5,8-9,16-17H,2-3,6-7H2,1H3
InChIKeyMTVWAMBLYCUGIZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.10
Rot. Bonds3

About [1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol

[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102782269) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is [1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102782269
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc3sccn3c2CO)C1CO
InChIInChI=1S/C12H17N3O2S/c1-8-2-3-14(9(8)6-16)11-10(7-17)15-4-5-18-12(15)13-11/h4-5,8-9,16-17H,2-3,6-7H2,1H3
InChIKeyMTVWAMBLYCUGIZ-UHFFFAOYSA-N
XLogP1.10
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol (CID 102782269) is [1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2nc3sccn3c2CO)C1CO.
What is the InChIKey of [1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is MTVWAMBLYCUGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8-2-3-14(9(8)6-16)11-10(7-17)15-4-5-18-12(15)13-11/h4-5,8-9,16-17H,2-3,6-7H2,1H3.
What are the key properties of [1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol?
[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 267.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102782269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).