[4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

C13H21N3S — CID 63916547

IUPAC[4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC1CCCN1c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C13H21N3S/c1-2-10-4-3-7-16(10)13-15-12(9-5-6-9)11(8-14)17-13/h9-10H,2-8,14H2,1H3
InChIKeyCNPQADOOHPUMQP-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.86
Rot. Bonds4

About [4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63916547) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is [4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID63916547
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name[4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC1CCCN1c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C13H21N3S/c1-2-10-4-3-7-16(10)13-15-12(9-5-6-9)11(8-14)17-13/h9-10H,2-8,14H2,1H3
InChIKeyCNPQADOOHPUMQP-UHFFFAOYSA-N
XLogP2.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 63916547) is [4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is CCC1CCCN1c1nc(C2CC2)c(CN)s1.
What is the InChIKey of [4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is CNPQADOOHPUMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-10-4-3-7-16(10)13-15-12(9-5-6-9)11(8-14)17-13/h9-10H,2-8,14H2,1H3.
What are the key properties of [4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 251.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63916547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).