4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine

C14H24N2S — CID 66038753

IUPAC4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine
SMILESC=C(CC)CC(Cc1nc(C)cs1)NCCC
InChIInChI=1S/C14H24N2S/c1-5-7-15-13(8-11(3)6-2)9-14-16-12(4)10-17-14/h10,13,15H,3,5-9H2,1-2,4H3
InChIKeyLPFIFMGDAJSVAW-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.72
Rot. Bonds8

About 4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine

4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine (PubChem CID 66038753) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine
PubChem CID66038753
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine
SMILESC=C(CC)CC(Cc1nc(C)cs1)NCCC
InChIInChI=1S/C14H24N2S/c1-5-7-15-13(8-11(3)6-2)9-14-16-12(4)10-17-14/h10,13,15H,3,5-9H2,1-2,4H3
InChIKeyLPFIFMGDAJSVAW-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
CID 63644001
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 55120538
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 83176126
1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55120537
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 105373850
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685
1-(2,5-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 65321483
1-(2,5-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796725
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 105019417

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine?
The IUPAC name of 4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine (CID 66038753) is 4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine?
The canonical SMILES for 4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine is C=C(CC)CC(Cc1nc(C)cs1)NCCC.
What is the InChIKey of 4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine?
The InChIKey is LPFIFMGDAJSVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-5-7-15-13(8-11(3)6-2)9-14-16-12(4)10-17-14/h10,13,15H,3,5-9H2,1-2,4H3.
What are the key properties of 4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine?
4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine is sourced from PubChem (CID 66038753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).