3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol

C12H21N3O2S — CID 77095416

IUPAC3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol
SMILESCN(Cc1cnc(N2CCCC2)s1)CC(O)CO
InChIInChI=1S/C12H21N3O2S/c1-14(7-10(17)9-16)8-11-6-13-12(18-11)15-4-2-3-5-15/h6,10,16-17H,2-5,7-9H2,1H3
InChIKeyCPPQTGDHEJLAQY-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.53
Rot. Bonds6

About 3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol

3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol (PubChem CID 77095416) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol
PubChem CID77095416
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol
SMILESCN(Cc1cnc(N2CCCC2)s1)CC(O)CO
InChIInChI=1S/C12H21N3O2S/c1-14(7-10(17)9-16)8-11-6-13-12(18-11)15-4-2-3-5-15/h6,10,16-17H,2-5,7-9H2,1H3
InChIKeyCPPQTGDHEJLAQY-UHFFFAOYSA-N
XLogP0.53
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol with MolForge

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Related Compounds

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[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
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[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine
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[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol?
The IUPAC name of 3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol (CID 77095416) is 3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol is CN(Cc1cnc(N2CCCC2)s1)CC(O)CO.
What is the InChIKey of 3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol?
The InChIKey is CPPQTGDHEJLAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-14(7-10(17)9-16)8-11-6-13-12(18-11)15-4-2-3-5-15/h6,10,16-17H,2-5,7-9H2,1H3.
What are the key properties of 3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol?
3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol has a molecular weight of 271.39 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol is sourced from PubChem (CID 77095416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).