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

C11H19N3S — CID 106027180

IUPAC4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCC2CCCN2C)n1
InChIInChI=1S/C11H19N3S/c1-3-9-8-15-11(13-9)12-7-10-5-4-6-14(10)2/h8,10H,3-7H2,1-2H3,(H,12,13)
InChIKeyBTNGSRQOQCHOSC-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.21
Rot. Bonds4

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

4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 106027180) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID106027180
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCC2CCCN2C)n1
InChIInChI=1S/C11H19N3S/c1-3-9-8-15-11(13-9)12-7-10-5-4-6-14(10)2/h8,10H,3-7H2,1-2H3,(H,12,13)
InChIKeyBTNGSRQOQCHOSC-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.21
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-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine (CID 106027180) is 4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine is CCc1csc(NCC2CCCN2C)n1.
What is the InChIKey of 4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is BTNGSRQOQCHOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-9-8-15-11(13-9)12-7-10-5-4-6-14(10)2/h8,10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine?
4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.21, 4 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-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 106027180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).