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

C14H18N2S — CID 79824374

IUPAC3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC(C)(c1ccccc1)C(N)Cc1nccs1
InChIInChI=1S/C14H18N2S/c1-14(2,11-6-4-3-5-7-11)12(15)10-13-16-8-9-17-13/h3-9,12H,10,15H2,1-2H3
InChIKeyLMCWCIZHRZJRTB-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.99
Rot. Bonds4

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

3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 79824374) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID79824374
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC(C)(c1ccccc1)C(N)Cc1nccs1
InChIInChI=1S/C14H18N2S/c1-14(2,11-6-4-3-5-7-11)12(15)10-13-16-8-9-17-13/h3-9,12H,10,15H2,1-2H3
InChIKeyLMCWCIZHRZJRTB-UHFFFAOYSA-N
XLogP2.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine (CID 79824374) is 3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine is CC(C)(c1ccccc1)C(N)Cc1nccs1.
What is the InChIKey of 3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is LMCWCIZHRZJRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-14(2,11-6-4-3-5-7-11)12(15)10-13-16-8-9-17-13/h3-9,12H,10,15H2,1-2H3.
What are the key properties of 3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine?
3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 79824374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).