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

C11H18N2S — CID 104772211

IUPAC2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(=Cc1nc(C)cs1)CNC(C)C
InChIInChI=1S/C11H18N2S/c1-8(2)12-6-9(3)5-11-13-10(4)7-14-11/h5,7-8,12H,6H2,1-4H3
InChIKeyZZNNOPZJXZTBKG-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.85
Rot. Bonds4

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

2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 104772211) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID104772211
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(=Cc1nc(C)cs1)CNC(C)C
InChIInChI=1S/C11H18N2S/c1-8(2)12-6-9(3)5-11-13-10(4)7-14-11/h5,7-8,12H,6H2,1-4H3
InChIKeyZZNNOPZJXZTBKG-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 104772188
2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104772220
N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine
CID 104772212
2-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 79341549
4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole
CID 104855405
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine
CID 104772187
4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 841733
2-methyl-3-(2-methylpyrazol-3-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104939383
3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340621
N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine
CID 136739066
N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 60850227
(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 103571031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine (CID 104772211) is 2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine is CC(=Cc1nc(C)cs1)CNC(C)C.
What is the InChIKey of 2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is ZZNNOPZJXZTBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(2)12-6-9(3)5-11-13-10(4)7-14-11/h5,7-8,12H,6H2,1-4H3.
What are the key properties of 2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine?
2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 104772211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).