3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine

C16H22N2S — CID 61168873

IUPAC3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)(C)CC(NCc1cscn1)c1ccccc1
InChIInChI=1S/C16H22N2S/c1-16(2,3)9-15(13-7-5-4-6-8-13)17-10-14-11-19-12-18-14/h4-8,11-12,15,17H,9-10H2,1-3H3
InChIKeyPMBMUOVGTQCBFE-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.41
Rot. Bonds5

About 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine

3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine (PubChem CID 61168873) 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-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
PubChem CID61168873
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)(C)CC(NCc1cscn1)c1ccccc1
InChIInChI=1S/C16H22N2S/c1-16(2,3)9-15(13-7-5-4-6-8-13)17-10-14-11-19-12-18-14/h4-8,11-12,15,17H,9-10H2,1-3H3
InChIKeyPMBMUOVGTQCBFE-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

3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55150406
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 55109666
1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 62049333
1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696428
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-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine
CID 62133141
N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740426
2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63831536
3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 103624008
3-phenyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 63825576
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine (CID 61168873) is 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine is CC(C)(C)CC(NCc1cscn1)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The InChIKey is PMBMUOVGTQCBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-16(2,3)9-15(13-7-5-4-6-8-13)17-10-14-11-19-12-18-14/h4-8,11-12,15,17H,9-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-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-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 61168873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).