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

C18H26N2S — CID 105159133

IUPAC4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1cccc(C)c1)Cc1csc(C)n1
InChIInChI=1S/C18H26N2S/c1-4-10-19-17(12-18-13-21-15(3)20-18)9-8-16-7-5-6-14(2)11-16/h5-7,11,13,17,19H,4,8-10,12H2,1-3H3
InChIKeyFAQQUKVRLLPFBM-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.30
Rot. Bonds8

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

4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine (PubChem CID 105159133) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine
PubChem CID105159133
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1cccc(C)c1)Cc1csc(C)n1
InChIInChI=1S/C18H26N2S/c1-4-10-19-17(12-18-13-21-15(3)20-18)9-8-16-7-5-6-14(2)11-16/h5-7,11,13,17,19H,4,8-10,12H2,1-3H3
InChIKeyFAQQUKVRLLPFBM-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62798101
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
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
6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
CID 105140177
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
CID 105159138
N-[1-(2,6-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 104996996
1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62798826
1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine
CID 104996994
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025
5-(3-methylphenyl)-N-propylpent-1-en-3-amine
CID 105161314

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine (CID 105159133) is 4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine is CCCNC(CCc1cccc(C)c1)Cc1csc(C)n1.
What is the InChIKey of 4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine?
The InChIKey is FAQQUKVRLLPFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-10-19-17(12-18-13-21-15(3)20-18)9-8-16-7-5-6-14(2)11-16/h5-7,11,13,17,19H,4,8-10,12H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine?
4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 105159133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).