4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine

C10H17N3S — CID 62962634

IUPAC4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
SMILESCCc1csc(NC2CCN(C)C2)n1
InChIInChI=1S/C10H17N3S/c1-3-8-7-14-10(11-8)12-9-4-5-13(2)6-9/h7,9H,3-6H2,1-2H3,(H,11,12)
InChIKeySPLUMVIIBOZUPC-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.82
Rot. Bonds3

About 4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine

4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 62962634) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
PubChem CID62962634
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
SMILESCCc1csc(NC2CCN(C)C2)n1
InChIInChI=1S/C10H17N3S/c1-3-8-7-14-10(11-8)12-9-4-5-13(2)6-9/h7,9H,3-6H2,1-2H3,(H,11,12)
InChIKeySPLUMVIIBOZUPC-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine (CID 62962634) is 4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine is CCc1csc(NC2CCN(C)C2)n1.
What is the InChIKey of 4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is SPLUMVIIBOZUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-8-7-14-10(11-8)12-9-4-5-13(2)6-9/h7,9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62962634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).