2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine

C19H17N5S — CID 168626932

IUPAC2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2ccc3ccn(Cc4ccccc4)c3c2)n1
InChIInChI=1S/C19H17N5S/c20-18-13-25-19(22-18)23-21-11-15-6-7-16-8-9-24(17(16)10-15)12-14-4-2-1-3-5-14/h1-11,13H,12,20H2,(H,22,23)
InChIKeyHGZBZCIGJIUMFT-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.17
Rot. Bonds5

About 2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168626932) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168626932
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2ccc3ccn(Cc4ccccc4)c3c2)n1
InChIInChI=1S/C19H17N5S/c20-18-13-25-19(22-18)23-21-11-15-6-7-16-8-9-24(17(16)10-15)12-14-4-2-1-3-5-14/h1-11,13H,12,20H2,(H,22,23)
InChIKeyHGZBZCIGJIUMFT-UHFFFAOYSA-N
XLogP4.17
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol
CID 168625810
2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626742
2-N-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625935
2-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626098
2-N-[[3-(prop-2-enoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626078
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
1-benzylindol-6-amine
CID 69325204
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614
2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626121
[4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol
CID 168626606
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624362

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168626932) is 2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2ccc3ccn(Cc4ccccc4)c3c2)n1.
What is the InChIKey of 2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is HGZBZCIGJIUMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c20-18-13-25-19(22-18)23-21-11-15-6-7-16-8-9-24(17(16)10-15)12-14-4-2-1-3-5-14/h1-11,13H,12,20H2,(H,22,23).
What are the key properties of 2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 347.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168626932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).