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

C15H20N2S — CID 79820016

IUPAC2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCC(C)C(C)(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2S/c1-11(2)15(3,16)9-14-17-13(10-18-14)12-7-5-4-6-8-12/h4-8,10-11H,9,16H2,1-3H3
InChIKeyBZLFWNYTQYZOCD-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.73
Rot. Bonds4

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

2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 79820016) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID79820016
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCC(C)C(C)(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2S/c1-11(2)15(3,16)9-14-17-13(10-18-14)12-7-5-4-6-8-12/h4-8,10-11H,9,16H2,1-3H3
InChIKeyBZLFWNYTQYZOCD-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81022146
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol
CID 104656167
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964967

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine (CID 79820016) is 2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine is CC(C)C(C)(N)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is BZLFWNYTQYZOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(2)15(3,16)9-14-17-13(10-18-14)12-7-5-4-6-8-12/h4-8,10-11H,9,16H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 79820016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).