5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine

C9H15N3S — CID 103365807

IUPAC5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCC1CC(C)N(c2cc(N)ns2)C1
InChIInChI=1S/C9H15N3S/c1-6-3-7(2)12(5-6)9-4-8(10)11-13-9/h4,6-7H,3,5H2,1-2H3,(H2,10,11)
InChIKeyQLHAOXIYTJTQFR-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.96
Rot. Bonds1

About 5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine

5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103365807) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
PubChem CID103365807
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCC1CC(C)N(c2cc(N)ns2)C1
InChIInChI=1S/C9H15N3S/c1-6-3-7(2)12(5-6)9-4-8(10)11-13-9/h4,6-7H,3,5H2,1-2H3,(H2,10,11)
InChIKeyQLHAOXIYTJTQFR-UHFFFAOYSA-N
XLogP1.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine (CID 103365807) is 5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine is CC1CC(C)N(c2cc(N)ns2)C1.
What is the InChIKey of 5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is QLHAOXIYTJTQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6-3-7(2)12(5-6)9-4-8(10)11-13-9/h4,6-7H,3,5H2,1-2H3,(H2,10,11).
What are the key properties of 5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 197.31 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103365807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).