6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine

C12H20N2S — CID 115715037

IUPAC6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCc1cscn1
InChIInChI=1S/C12H20N2S/c1-10(2)5-4-6-11(3)13-7-12-8-15-9-14-12/h5,8-9,11,13H,4,6-7H2,1-3H3
InChIKeyWNBOPDAYHNWKTR-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.37
Rot. Bonds6

About 6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine

6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine (PubChem CID 115715037) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine
PubChem CID115715037
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCc1cscn1
InChIInChI=1S/C12H20N2S/c1-10(2)5-4-6-11(3)13-7-12-8-15-9-14-12/h5,8-9,11,13H,4,6-7H2,1-3H3
InChIKeyWNBOPDAYHNWKTR-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 78997840
N-(1,3-thiazol-4-ylmethyl)pent-4-yn-2-amine
CID 115660275
tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
CID 103389967
N-[(2-chloro-3-methylimidazol-4-yl)methyl]-6-methylhept-5-en-2-amine
CID 154865378
(1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 97249715
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696131
6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine
CID 115708370
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63824458
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine?
The IUPAC name of 6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine (CID 115715037) is 6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine.
What is the SMILES notation for 6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine?
The canonical SMILES for 6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine is CC(C)=CCCC(C)NCc1cscn1.
What is the InChIKey of 6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine?
The InChIKey is WNBOPDAYHNWKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(2)5-4-6-11(3)13-7-12-8-15-9-14-12/h5,8-9,11,13H,4,6-7H2,1-3H3.
What are the key properties of 6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine?
6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine is sourced from PubChem (CID 115715037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).