1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C14H25N3S — CID 113419170

IUPAC1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(N2CCC(C(C)(C)C)C2)sc1C(C)N
InChIInChI=1S/C14H25N3S/c1-9(15)12-10(2)16-13(18-12)17-7-6-11(8-17)14(3,4)5/h9,11H,6-8,15H2,1-5H3
InChIKeyFYHWNDJLZFRUNL-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.34
Rot. Bonds2

About 1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 113419170) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID113419170
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(N2CCC(C(C)(C)C)C2)sc1C(C)N
InChIInChI=1S/C14H25N3S/c1-9(15)12-10(2)16-13(18-12)17-7-6-11(8-17)14(3,4)5/h9,11H,6-8,15H2,1-5H3
InChIKeyFYHWNDJLZFRUNL-UHFFFAOYSA-N
XLogP3.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 113419170) is 1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1nc(N2CCC(C(C)(C)C)C2)sc1C(C)N.
What is the InChIKey of 1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is FYHWNDJLZFRUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-9(15)12-10(2)16-13(18-12)17-7-6-11(8-17)14(3,4)5/h9,11H,6-8,15H2,1-5H3.
What are the key properties of 1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 113419170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).