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

C14H18N2S — CID 79817621

IUPAC2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(CN)CCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2S/c1-11(9-15)7-8-14-16-13(10-17-14)12-5-3-2-4-6-12/h2-6,10-11H,7-9,15H2,1H3
InChIKeySJIOBDMWXMOLPO-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.34
Rot. Bonds5

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

2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 79817621) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID79817621
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(CN)CCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2S/c1-11(9-15)7-8-14-16-13(10-17-14)12-5-3-2-4-6-12/h2-6,10-11H,7-9,15H2,1H3
InChIKeySJIOBDMWXMOLPO-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968225
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816985
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965129
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
3-methyl-N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012215
triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
CID 23143294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (CID 79817621) is 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is CC(CN)CCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is SJIOBDMWXMOLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11(9-15)7-8-14-16-13(10-17-14)12-5-3-2-4-6-12/h2-6,10-11H,7-9,15H2,1H3.
What are the key properties of 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 79817621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).