3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine

C15H20N2S — CID 60961920

IUPAC3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCC(C)CCNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2S/c1-12(2)8-9-16-10-15-17-14(11-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyNRWRJRMOLGXAIV-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.95
Rot. Bonds6

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

3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine (PubChem CID 60961920) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
PubChem CID60961920
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCC(C)CCNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2S/c1-12(2)8-9-16-10-15-17-14(11-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyNRWRJRMOLGXAIV-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.95
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-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 115608434
3-methyl-N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012215
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
2-ethylsulfinyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115632299
N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816985
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
CID 81018569
3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 78998236
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]ethanesulfonamide
CID 106336093

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine (CID 60961920) is 3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine is CC(C)CCNCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The InChIKey is NRWRJRMOLGXAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(2)8-9-16-10-15-17-14(11-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3.
What are the key properties of 3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 60961920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).