2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine

C12H20N2S — CID 104772188

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1nc(C)cs1)CNC(C)C
InChIInChI=1S/C12H20N2S/c1-5-11(7-13-9(2)3)6-12-14-10(4)8-15-12/h6,8-9,13H,5,7H2,1-4H3
InChIKeyVAAIZLUHKVHRQT-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.24
Rot. Bonds5

About 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine

2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 104772188) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID104772188
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1nc(C)cs1)CNC(C)C
InChIInChI=1S/C12H20N2S/c1-5-11(7-13-9(2)3)6-12-14-10(4)8-15-12/h6,8-9,13H,5,7H2,1-4H3
InChIKeyVAAIZLUHKVHRQT-UHFFFAOYSA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.24
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-propylbutan-1-amine
CID 104772187
2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104772220
2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329105
2-benzylidene-N-propan-2-ylbutan-1-amine
CID 79329110
2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79330007
2-(furan-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79329909
N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine
CID 104772212
2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 103571010
(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine
CID 113328651
2-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 79341549
N-propan-2-yl-2-(quinolin-4-ylmethylidene)butan-1-amine
CID 79330015

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine (CID 104772188) is 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine is CCC(=Cc1nc(C)cs1)CNC(C)C.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is VAAIZLUHKVHRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-5-11(7-13-9(2)3)6-12-14-10(4)8-15-12/h6,8-9,13H,5,7H2,1-4H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine?
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 104772188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).