3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine

C16H22N2S — CID 55109666

IUPAC3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
SMILESCC(C)(C)CC(NCc1cncs1)c1ccccc1
InChIInChI=1S/C16H22N2S/c1-16(2,3)9-15(13-7-5-4-6-8-13)18-11-14-10-17-12-19-14/h4-8,10,12,15,18H,9,11H2,1-3H3
InChIKeyWMXPUVVKZAQDGR-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.41
Rot. Bonds5

About 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine

3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine (PubChem CID 55109666) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
PubChem CID55109666
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
SMILESCC(C)(C)CC(NCc1cncs1)c1ccccc1
InChIInChI=1S/C16H22N2S/c1-16(2,3)9-15(13-7-5-4-6-8-13)18-11-14-10-17-12-19-14/h4-8,10,12,15,18H,9,11H2,1-3H3
InChIKeyWMXPUVVKZAQDGR-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 62758422
N-[(4-bromothiophen-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740502
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61168873
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732172
1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104585372
3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine
CID 62133141
N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 63001796
N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740426
N-[(5-chlorofuran-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 60780951
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine (CID 55109666) is 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine is CC(C)(C)CC(NCc1cncs1)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The InChIKey is WMXPUVVKZAQDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-16(2,3)9-15(13-7-5-4-6-8-13)18-11-14-10-17-12-19-14/h4-8,10,12,15,18H,9,11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine?
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 55109666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).