2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine

C16H26N2S — CID 104772220

IUPAC2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCc1csc(C=C(CNC(C)C)C2CCCCC2)n1
InChIInChI=1S/C16H26N2S/c1-12(2)17-10-15(14-7-5-4-6-8-14)9-16-18-13(3)11-19-16/h9,11-12,14,17H,4-8,10H2,1-3H3
InChIKeyHOSWUZYKBWYQIX-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.41
Rot. Bonds5

About 2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine

2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 104772220) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID104772220
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCc1csc(C=C(CNC(C)C)C2CCCCC2)n1
InChIInChI=1S/C16H26N2S/c1-12(2)17-10-15(14-7-5-4-6-8-14)9-16-18-13(3)11-19-16/h9,11-12,14,17H,4-8,10H2,1-3H3
InChIKeyHOSWUZYKBWYQIX-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104772211
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 104772188
N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine
CID 104772212
(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 103571039
4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole
CID 104855405
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
CID 115530312
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine
CID 104772187
2-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 79341549
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
dimethyl 2-cyclopentyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]propanedioate
CID 103973108
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine (CID 104772220) is 2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine is Cc1csc(C=C(CNC(C)C)C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is HOSWUZYKBWYQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12(2)17-10-15(14-7-5-4-6-8-14)9-16-18-13(3)11-19-16/h9,11-12,14,17H,4-8,10H2,1-3H3.
What are the key properties of 2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine?
2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 278.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 104772220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).