(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene

C18H14N4S — CID 137234432

IUPAC(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
SMILESCc1[nH]c2ccccc2c1/N=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14N4S/c1-12-17(14-9-5-6-10-15(14)19-12)21-22-18-20-16(11-23-18)13-7-3-2-4-8-13/h2-11,19H,1H3/b22-21+
InChIKeyFBMULZPWHXVLHG-QURGRASLSA-N
MW318.41 g/mol
LogP6.02
Rot. Bonds3

About (2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene

(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene (PubChem CID 137234432) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is (2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene.

Molecular Properties

Compound Name(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
PubChem CID137234432
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
SMILESCc1[nH]c2ccccc2c1/N=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14N4S/c1-12-17(14-9-5-6-10-15(14)19-12)21-22-18-20-16(11-23-18)13-7-3-2-4-8-13/h2-11,19H,1H3/b22-21+
InChIKeyFBMULZPWHXVLHG-QURGRASLSA-N
XLogP6.02
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.41
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide
CID 135794067
3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol
CID 135571903
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
CID 176513821
(2-bromophenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 135851037
2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole
CID 102490378
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 135936240
(2-chloro-6-methylphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 154722811
4-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-1,3-thiazol-2-amine
CID 555382
1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine
CID 137224330
5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one
CID 142488254
4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 166058003

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene?
The IUPAC name of (2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene (CID 137234432) is (2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene.
What is the SMILES notation for (2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene?
The canonical SMILES for (2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene is Cc1[nH]c2ccccc2c1/N=N/c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene?
The InChIKey is FBMULZPWHXVLHG-QURGRASLSA-N. The full InChI is InChI=1S/C18H14N4S/c1-12-17(14-9-5-6-10-15(14)19-12)21-22-18-20-16(11-23-18)13-7-3-2-4-8-13/h2-11,19H,1H3/b22-21+.
What are the key properties of (2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene?
(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene has a molecular weight of 318.41 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene is sourced from PubChem (CID 137234432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).