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

C12H20N2S — CID 104772187

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1nc(C)cs1)CC
InChIInChI=1S/C12H20N2S/c1-4-6-13-8-11(5-2)7-12-14-10(3)9-15-12/h7,9,13H,4-6,8H2,1-3H3
InChIKeyCESMBNSXYBLCSD-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.24
Rot. Bonds6

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

2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine (PubChem CID 104772187) 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-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine
PubChem CID104772187
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1nc(C)cs1)CC
InChIInChI=1S/C12H20N2S/c1-4-6-13-8-11(5-2)7-12-14-10(3)9-15-12/h7,9,13H,4-6,8H2,1-3H3
InChIKeyCESMBNSXYBLCSD-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 104772188
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-N-propylbutan-1-amine
CID 79328718
2-[(5-methylthiophen-2-yl)methylidene]-N-propylbutan-1-amine
CID 79329770
(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine
CID 105379764
2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104772211
2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine
CID 79329321
2-[(1-methylpyrazol-4-yl)methylidene]-N-propylbutan-1-amine
CID 79330103
N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine
CID 104772212
2-[(4-bromo-3-methylphenyl)methylidene]-N-propylbutan-1-amine
CID 79329444
2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine
CID 79329556
(2E)-2-[(3-bromofuran-2-yl)methylidene]-N-propylbutan-1-amine
CID 106889685
2-[(1-phenylpyrazol-4-yl)methylidene]-N-propylbutan-1-amine
CID 79329897

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine (CID 104772187) is 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine is CCCNCC(=Cc1nc(C)cs1)CC.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine?
The InChIKey is CESMBNSXYBLCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-6-13-8-11(5-2)7-12-14-10(3)9-15-12/h7,9,13H,4-6,8H2,1-3H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine?
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.24, 6 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-propylbutan-1-amine is sourced from PubChem (CID 104772187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).