5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine

C15H19N3S — CID 103384010

IUPAC5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine
SMILESCCC1CCN(c2snc(N)c2-c2ccccc2)C1
InChIInChI=1S/C15H19N3S/c1-2-11-8-9-18(10-11)15-13(14(16)17-19-15)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H2,16,17)
InChIKeyBGUSYHUXQXGKKP-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.63
Rot. Bonds3

About 5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine

5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine (PubChem CID 103384010) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine
PubChem CID103384010
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine
SMILESCCC1CCN(c2snc(N)c2-c2ccccc2)C1
InChIInChI=1S/C15H19N3S/c1-2-11-8-9-18(10-11)15-13(14(16)17-19-15)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H2,16,17)
InChIKeyBGUSYHUXQXGKKP-UHFFFAOYSA-N
XLogP3.63
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol
CID 107229416
5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine
CID 103379473
5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103381127
2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103383978
[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361985
5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103378981
[1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol
CID 103383882
5-[4-(dimethylamino)piperidin-1-yl]-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103360474
5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103365859
5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103365792
1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361611
3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380794

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine (CID 103384010) is 5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine is CCC1CCN(c2snc(N)c2-c2ccccc2)C1.
What is the InChIKey of 5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine?
The InChIKey is BGUSYHUXQXGKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-11-8-9-18(10-11)15-13(14(16)17-19-15)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H2,16,17).
What are the key properties of 5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine?
5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine has a molecular weight of 273.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103384010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).