[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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Related Compounds

[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916747
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510725
(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 63918102
[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63917608
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 63915854
[4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 63916252
[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62765484
[4-cyclopropyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916249
[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 103540374
N-[[2-(2-ethylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395687
[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 63916433
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899

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).