2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

C14H24N2S — CID 112569875

IUPAC2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cnc(C)s1)C1CCCC1
InChIInChI=1S/C14H24N2S/c1-3-15-9-13(12-6-4-5-7-12)8-14-10-16-11(2)17-14/h10,12-13,15H,3-9H2,1-2H3
InChIKeySXUSFXPCUVBTHR-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.41
Rot. Bonds6

About 2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 112569875) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID112569875
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cnc(C)s1)C1CCCC1
InChIInChI=1S/C14H24N2S/c1-3-15-9-13(12-6-4-5-7-12)8-14-10-16-11(2)17-14/h10,12-13,15H,3-9H2,1-2H3
InChIKeySXUSFXPCUVBTHR-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 112569875) is 2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is CCNCC(Cc1cnc(C)s1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is SXUSFXPCUVBTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-15-9-13(12-6-4-5-7-12)8-14-10-16-11(2)17-14/h10,12-13,15H,3-9H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 112569875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).