N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine

C23H25N3S — CID 155808199

IUPACN-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCC(C)CC(Nc1nc(-c2ccccc2)cs1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H25N3S/c1-16(2)13-20(19-14-26(3)22-12-8-7-11-18(19)22)24-23-25-21(15-27-23)17-9-5-4-6-10-17/h4-12,14-16,20H,13H2,1-3H3,(H,24,25)
InChIKeyFRYKJGNAVSLUEQ-UHFFFAOYSA-N
MW375.54 g/mol
LogP6.50
Rot. Bonds6

About N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine

N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 155808199) has the molecular formula C23H25N3S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID155808199
Molecular FormulaC23H25N3S
Molecular Weight375.54 g/mol
Exact Mass375.18
IUPAC NameN-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCC(C)CC(Nc1nc(-c2ccccc2)cs1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H25N3S/c1-16(2)13-20(19-14-26(3)22-12-8-7-11-18(19)22)24-23-25-21(15-27-23)17-9-5-4-6-10-17/h4-12,14-16,20H,13H2,1-3H3,(H,24,25)
InChIKeyFRYKJGNAVSLUEQ-UHFFFAOYSA-N
XLogP6.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine (CID 155808199) is N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine is CC(C)CC(Nc1nc(-c2ccccc2)cs1)c1cn(C)c2ccccc12.
What is the InChIKey of N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is FRYKJGNAVSLUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3S/c1-16(2)13-20(19-14-26(3)22-12-8-7-11-18(19)22)24-23-25-21(15-27-23)17-9-5-4-6-10-17/h4-12,14-16,20H,13H2,1-3H3,(H,24,25).
What are the key properties of N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine?
N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 375.54 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(1-methylindol-3-yl)butyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 155808199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).