1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine

C17H24N2S — CID 62798101

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)Cc1csc(C)n1
InChIInChI=1S/C17H24N2S/c1-3-11-18-16(12-17-13-20-14(2)19-17)10-9-15-7-5-4-6-8-15/h4-8,13,16,18H,3,9-12H2,1-2H3
InChIKeyDLOWJLLJPXTOMK-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.00
Rot. Bonds8

About 1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine

1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine (PubChem CID 62798101) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
PubChem CID62798101
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)Cc1csc(C)n1
InChIInChI=1S/C17H24N2S/c1-3-11-18-16(12-17-13-20-14(2)19-17)10-9-15-7-5-4-6-8-15/h4-8,13,16,18H,3,9-12H2,1-2H3
InChIKeyDLOWJLLJPXTOMK-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine
CID 105159133
1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
CID 62799003
1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851
1-(2,6-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62799001
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
CID 105159138
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025
1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417309
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine
CID 104996994
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417307

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine (CID 62798101) is 1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine is CCCNC(CCc1ccccc1)Cc1csc(C)n1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine?
The InChIKey is DLOWJLLJPXTOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-11-18-16(12-17-13-20-14(2)19-17)10-9-15-7-5-4-6-8-15/h4-8,13,16,18H,3,9-12H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine?
1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine is sourced from PubChem (CID 62798101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).