N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine

C14H24N2S — CID 107925861

IUPACN-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(C2CC2(C)C)sc1CNCC
InChIInChI=1S/C14H24N2S/c1-5-7-11-12(9-15-6-2)17-13(16-11)10-8-14(10,3)4/h10,15H,5-9H2,1-4H3
InChIKeyYUVMUXGKLHLNRL-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.72
Rot. Bonds6

About N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 107925861) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID107925861
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(C2CC2(C)C)sc1CNCC
InChIInChI=1S/C14H24N2S/c1-5-7-11-12(9-15-6-2)17-13(16-11)10-8-14(10,3)4/h10,15H,5-9H2,1-4H3
InChIKeyYUVMUXGKLHLNRL-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 107925861) is N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is CCCc1nc(C2CC2(C)C)sc1CNCC.
What is the InChIKey of N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is YUVMUXGKLHLNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-5-7-11-12(9-15-6-2)17-13(16-11)10-8-14(10,3)4/h10,15H,5-9H2,1-4H3.
What are the key properties of N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 107925861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).