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

C16H24N2S — CID 167018959

IUPACN-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(CC(C)C2=CC(C)CC=C2)s1
InChIInChI=1S/C16H24N2S/c1-4-17-11-16-18-10-15(19-16)9-13(3)14-7-5-6-12(2)8-14/h5,7-8,10,12-13,17H,4,6,9,11H2,1-3H3
InChIKeyHFOKZCHERSOUIV-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.95
Rot. Bonds6

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

N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 167018959) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID167018959
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(CC(C)C2=CC(C)CC=C2)s1
InChIInChI=1S/C16H24N2S/c1-4-17-11-16-18-10-15(19-16)9-13(3)14-7-5-6-12(2)8-14/h5,7-8,10,12-13,17H,4,6,9,11H2,1-3H3
InChIKeyHFOKZCHERSOUIV-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine with MolForge

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Related Compounds

2-(4-fluorocyclohexa-2,4-dien-1-yl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanimidamide
CID 135269122
5-[(4-Fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
CID 163385852
5-methyl-2-[(E)-2-piperidin-4-ylethenyl]-1,3-thiazole
CID 57701924
[5-(6,6-Dimethyl-4-prop-1-en-2-yl-1,3,4,5,7,8-hexahydroisothiochromen-3-yl)-1,3-thiazol-2-yl]methanamine
CID 130239565
N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine
CID 134232630
3-ethyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]hex-5-en-1-amine
CID 134232635
5-Cyclohexa-1,3-dien-1-yl-2-propan-2-yl-1,3-thiazole
CID 139505736
N-[(1E,3E,4Z)-3-ethylidene-2-methylhepta-1,4,6-trienyl]-4-(2-methyl-1,3-thiazol-5-yl)butan-2-imine
CID 142069998
N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene
CID 143088073
2-methyl-5-[(5E)-5-[(6Z)-octa-3,6-dien-1-yn-3-yl]sulfanylcycloocta-2,5-dien-1-yl]-1,3-thiazole
CID 143703522
[(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine
CID 154930205
5-(5-Methylcyclohexa-1,3-dien-1-yl)-2-propan-2-yl-1,3-thiazole
CID 156172385

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 167018959) is N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1ncc(CC(C)C2=CC(C)CC=C2)s1.
What is the InChIKey of N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is HFOKZCHERSOUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-4-17-11-16-18-10-15(19-16)9-13(3)14-7-5-6-12(2)8-14/h5,7-8,10,12-13,17H,4,6,9,11H2,1-3H3.
What are the key properties of N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 276.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 167018959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).