3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine

C17H24N2S — CID 81018569

IUPAC3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-3-10-18-11-9-14(2)12-17-19-16(13-20-17)15-7-5-4-6-8-15/h4-8,13-14,18H,3,9-12H2,1-2H3
InChIKeyHLIMXSXVRJNZCF-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.38
Rot. Bonds8

About 3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine

3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine (PubChem CID 81018569) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
PubChem CID81018569
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-3-10-18-11-9-14(2)12-17-19-16(13-20-17)15-7-5-4-6-8-15/h4-8,13-14,18H,3,9-12H2,1-2H3
InChIKeyHLIMXSXVRJNZCF-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.38
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

3-methyl-N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012215
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105320685
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 79825345
3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 115608434
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544495
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine (CID 81018569) is 3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine is CCCNCCC(C)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine?
The InChIKey is HLIMXSXVRJNZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-10-18-11-9-14(2)12-17-19-16(13-20-17)15-7-5-4-6-8-15/h4-8,13-14,18H,3,9-12H2,1-2H3.
What are the key properties of 3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine?
3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 81018569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).