4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine

C17H24N2S — CID 105178082

IUPAC4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCCCNC(CCc1ccccc1C)Cc1cncs1
InChIInChI=1S/C17H24N2S/c1-3-10-19-16(11-17-12-18-13-20-17)9-8-15-7-5-4-6-14(15)2/h4-7,12-13,16,19H,3,8-11H2,1-2H3
InChIKeyKPAILNJUIVBKGW-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.00
Rot. Bonds8

About 4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine

4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine (PubChem CID 105178082) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
PubChem CID105178082
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCCCNC(CCc1ccccc1C)Cc1cncs1
InChIInChI=1S/C17H24N2S/c1-3-10-19-16(11-17-12-18-13-20-17)9-8-15-7-5-4-6-14(15)2/h4-7,12-13,16,19H,3,8-11H2,1-2H3
InChIKeyKPAILNJUIVBKGW-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-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105180056
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
N-propyl-1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642797
5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643106
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165477
N-[1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107985343
1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642847
[4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105205632
1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 115979174
1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417309

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine?
The IUPAC name of 4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine (CID 105178082) is 4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine is CCCNC(CCc1ccccc1C)Cc1cncs1.
What is the InChIKey of 4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine?
The InChIKey is KPAILNJUIVBKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-10-19-16(11-17-12-18-13-20-17)9-8-15-7-5-4-6-14(15)2/h4-7,12-13,16,19H,3,8-11H2,1-2H3.
What are the key properties of 4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine?
4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-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 4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 105178082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).