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

C15H20N2S — CID 81010215

IUPAC2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(CN)C(C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2S/c1-11(12(2)9-16)8-15-17-14(10-18-15)13-6-4-3-5-7-13/h3-7,10-12H,8-9,16H2,1-2H3
InChIKeyVTLJGMBFABFGJU-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.58
Rot. Bonds5

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

2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 81010215) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID81010215
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(CN)C(C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2S/c1-11(12(2)9-16)8-15-17-14(10-18-15)13-6-4-3-5-7-13/h3-7,10-12H,8-9,16H2,1-2H3
InChIKeyVTLJGMBFABFGJU-UHFFFAOYSA-N
XLogP3.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
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
1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79819598
3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105006711
[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105320685
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
3-methyl-N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012215
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
CID 23143294

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (CID 81010215) is 2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is CC(CN)C(C)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is VTLJGMBFABFGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(12(2)9-16)8-15-17-14(10-18-15)13-6-4-3-5-7-13/h3-7,10-12H,8-9,16H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 81010215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).