3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine

C16H22N2S — CID 103617029

IUPAC3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine
SMILESCc1ncc(CNCC(c2ccccc2)C(C)C)s1
InChIInChI=1S/C16H22N2S/c1-12(2)16(14-7-5-4-6-8-14)11-17-9-15-10-18-13(3)19-15/h4-8,10,12,16-17H,9,11H2,1-3H3
InChIKeyAMMPTIYESZWRAF-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.98
Rot. Bonds6

About 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine

3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine (PubChem CID 103617029) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine
PubChem CID103617029
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine
SMILESCc1ncc(CNCC(c2ccccc2)C(C)C)s1
InChIInChI=1S/C16H22N2S/c1-12(2)16(14-7-5-4-6-8-14)11-17-9-15-10-18-13(3)19-15/h4-8,10,12,16-17H,9,11H2,1-3H3
InChIKeyAMMPTIYESZWRAF-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-phenylbutan-1-amine
CID 107876117
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
N-[(5-bromothiophen-2-yl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876038
2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 61042812
benzyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 106483964
3,3-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 112555963
3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 103614627
3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 103624008
N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
CID 60777946
2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid
CID 115461723
1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60777845

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine (CID 103617029) is 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine is Cc1ncc(CNCC(c2ccccc2)C(C)C)s1.
What is the InChIKey of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine?
The InChIKey is AMMPTIYESZWRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(2)16(14-7-5-4-6-8-14)11-17-9-15-10-18-13(3)19-15/h4-8,10,12,16-17H,9,11H2,1-3H3.
What are the key properties of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine?
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 103617029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).