[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol

C10H17N3OS — CID 120903792

IUPAC[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol
SMILESCC1C(CO)CCN1Cc1cnc(N)s1
InChIInChI=1S/C10H17N3OS/c1-7-8(6-14)2-3-13(7)5-9-4-12-10(11)15-9/h4,7-8,14H,2-3,5-6H2,1H3,(H2,11,12)
InChIKeyBFBYLBATGOUSGD-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.93
Rot. Bonds3

About [1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol

[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol (PubChem CID 120903792) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is [1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol
PubChem CID120903792
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol
SMILESCC1C(CO)CCN1Cc1cnc(N)s1
InChIInChI=1S/C10H17N3OS/c1-7-8(6-14)2-3-13(7)5-9-4-12-10(11)15-9/h4,7-8,14H,2-3,5-6H2,1H3,(H2,11,12)
InChIKeyBFBYLBATGOUSGD-UHFFFAOYSA-N
XLogP0.93
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol (CID 120903792) is [1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol is CC1C(CO)CCN1Cc1cnc(N)s1.
What is the InChIKey of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol?
The InChIKey is BFBYLBATGOUSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-8(6-14)2-3-13(7)5-9-4-12-10(11)15-9/h4,7-8,14H,2-3,5-6H2,1H3,(H2,11,12).
What are the key properties of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol?
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol has a molecular weight of 227.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 120903792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).