N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

C19H21N3S — CID 58791492

IUPACN-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCCCc1ccc(Nc2nc(-c3cccnc3)cs2)c(C)c1
InChIInChI=1S/C19H21N3S/c1-3-4-6-15-8-9-17(14(2)11-15)21-19-22-18(13-23-19)16-7-5-10-20-12-16/h5,7-13H,3-4,6H2,1-2H3,(H,21,22)
InChIKeyCRDQVVAPYMBMKO-UHFFFAOYSA-N
MW323.47 g/mol
LogP5.60
Rot. Bonds6

About N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 58791492) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID58791492
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC NameN-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCCCc1ccc(Nc2nc(-c3cccnc3)cs2)c(C)c1
InChIInChI=1S/C19H21N3S/c1-3-4-6-15-8-9-17(14(2)11-15)21-19-22-18(13-23-19)16-7-5-10-20-12-16/h5,7-13H,3-4,6H2,1-2H3,(H,21,22)
InChIKeyCRDQVVAPYMBMKO-UHFFFAOYSA-N
XLogP5.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.47
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-(trideuterio(113C)methyl)benzene-1,3-diamine
CID 91971706
4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 10319726
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine
CID 159379452
N-(6-octoxy-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791543
N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791198
1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide
CID 59789377
N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 90467537
1-(4-methylphenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 10432011

Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 58791492) is N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is CCCCc1ccc(Nc2nc(-c3cccnc3)cs2)c(C)c1.
What is the InChIKey of N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is CRDQVVAPYMBMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-3-4-6-15-8-9-17(14(2)11-15)21-19-22-18(13-23-19)16-7-5-10-20-12-16/h5,7-13H,3-4,6H2,1-2H3,(H,21,22).
What are the key properties of N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 323.47 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58791492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).