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

C18H15N3S — CID 143386415

IUPACN-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ccccc2-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C18H15N3S/c1-12-11-22-18(19-12)21-16-9-5-3-7-14(16)17-10-13-6-2-4-8-15(13)20-17/h2-11,20H,1H3,(H,19,21)
InChIKeyGYZBUIONEPGEDU-UHFFFAOYSA-N
MW305.41 g/mol
LogP5.34
Rot. Bonds3

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

N-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 143386415) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID143386415
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC NameN-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ccccc2-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C18H15N3S/c1-12-11-22-18(19-12)21-16-9-5-3-7-14(16)17-10-13-6-2-4-8-15(13)20-17/h2-11,20H,1H3,(H,19,21)
InChIKeyGYZBUIONEPGEDU-UHFFFAOYSA-N
XLogP5.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.41
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine (CID 143386415) is N-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ccccc2-c2cc3ccccc3[nH]2)n1.
What is the InChIKey of N-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GYZBUIONEPGEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-12-11-22-18(19-12)21-16-9-5-3-7-14(16)17-10-13-6-2-4-8-15(13)20-17/h2-11,20H,1H3,(H,19,21).
What are the key properties of N-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine?
N-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 305.41 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)phenyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 143386415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).