1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine

C10H17N3S — CID 130632851

IUPAC1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCCN1CCC(NC)(c2nccs2)C1
InChIInChI=1S/C10H17N3S/c1-3-13-6-4-10(8-13,11-2)9-12-5-7-14-9/h5,7,11H,3-4,6,8H2,1-2H3
InChIKeyIOYJTZPMSSKSTR-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.28
Rot. Bonds3

About 1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine

1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine (PubChem CID 130632851) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
PubChem CID130632851
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
SMILESCCN1CCC(NC)(c2nccs2)C1
InChIInChI=1S/C10H17N3S/c1-3-13-6-4-10(8-13,11-2)9-12-5-7-14-9/h5,7,11H,3-4,6,8H2,1-2H3
InChIKeyIOYJTZPMSSKSTR-UHFFFAOYSA-N
XLogP1.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
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1-ethyl-N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-amine
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CID 103563902
4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine
CID 65077988
N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65074915

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine (CID 130632851) is 1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine is CCN1CCC(NC)(c2nccs2)C1.
What is the InChIKey of 1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
The InChIKey is IOYJTZPMSSKSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-13-6-4-10(8-13,11-2)9-12-5-7-14-9/h5,7,11H,3-4,6,8H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine?
1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine has a molecular weight of 211.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 130632851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).