3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

C23H18N4S2 — CID 135799806

IUPAC3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCc1cccc(/N=c2\scc(-c3cccs3)n2N=Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H18N4S2/c1-16-6-4-7-18(12-16)26-23-27(21(15-29-23)22-10-5-11-28-22)25-14-17-13-24-20-9-3-2-8-19(17)20/h2-15,24H,1H3/b25-14?,26-23-
InChIKeyBVSXJYVNGOWNFB-JQMFECEZSA-N
MW414.56 g/mol
LogP6.18
Rot. Bonds4

About 3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 135799806) has the molecular formula C23H18N4S2 and a molecular weight of 414.56 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID135799806
Molecular FormulaC23H18N4S2
Molecular Weight414.56 g/mol
Exact Mass414.10
IUPAC Name3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCc1cccc(/N=c2\scc(-c3cccs3)n2N=Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H18N4S2/c1-16-6-4-7-18(12-16)26-23-27(21(15-29-23)22-10-5-11-28-22)25-14-17-13-24-20-9-3-2-8-19(17)20/h2-15,24H,1H3/b25-14?,26-23-
InChIKeyBVSXJYVNGOWNFB-JQMFECEZSA-N
XLogP6.18
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.56
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2457721
3-(1H-indol-3-ylmethylideneamino)-4-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 135848383
3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine
CID 2472240
3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine
CID 135676704
N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23857374
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 135849959
4-[[2-(3,4-dichlorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135666184
3-(1H-indol-3-ylmethylideneamino)-N-(4-morpholin-4-ylsulfonylphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine
CID 135814478
6-[3-(1H-indol-3-ylmethylideneamino)-2-(2-methylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 135759249
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
CID 135558233
4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23910735
4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2481548

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 135799806) is 3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is Cc1cccc(/N=c2\scc(-c3cccs3)n2N=Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is BVSXJYVNGOWNFB-JQMFECEZSA-N. The full InChI is InChI=1S/C23H18N4S2/c1-16-6-4-7-18(12-16)26-23-27(21(15-29-23)22-10-5-11-28-22)25-14-17-13-24-20-9-3-2-8-19(17)20/h2-15,24H,1H3/b25-14?,26-23-.
What are the key properties of 3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 414.56 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 135799806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).