N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C10H19N3S — CID 60855029

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN1CCC(CNC2=NCCS2)C1
InChIInChI=1S/C10H19N3S/c1-2-13-5-3-9(8-13)7-12-10-11-4-6-14-10/h9H,2-8H2,1H3,(H,11,12)
InChIKeySMGFKJRSVLQKPE-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.02
Rot. Bonds3

About N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 60855029) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID60855029
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN1CCC(CNC2=NCCS2)C1
InChIInChI=1S/C10H19N3S/c1-2-13-5-3-9(8-13)7-12-10-11-4-6-14-10/h9H,2-8H2,1H3,(H,11,12)
InChIKeySMGFKJRSVLQKPE-UHFFFAOYSA-N
XLogP1.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 60855029) is N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is CCN1CCC(CNC2=NCCS2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SMGFKJRSVLQKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-2-13-5-3-9(8-13)7-12-10-11-4-6-14-10/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 60855029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).