2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

C11H10N8S — CID 168627342

IUPAC2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2cccc(-c3nn[nH]n3)c2)n1
InChIInChI=1S/C11H10N8S/c12-9-6-20-11(14-9)17-13-5-7-2-1-3-8(4-7)10-15-18-19-16-10/h1-6H,12H2,(H,14,17)(H,15,16,18,19)
InChIKeyCPJOVUPDPCSGPL-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.35
Rot. Bonds4

About 2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168627342) has the molecular formula C11H10N8S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168627342
Molecular FormulaC11H10N8S
Molecular Weight286.32 g/mol
Exact Mass286.07
IUPAC Name2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2cccc(-c3nn[nH]n3)c2)n1
InChIInChI=1S/C11H10N8S/c12-9-6-20-11(14-9)17-13-5-7-2-1-3-8(4-7)10-15-18-19-16-10/h1-6H,12H2,(H,14,17)(H,15,16,18,19)
InChIKeyCPJOVUPDPCSGPL-UHFFFAOYSA-N
XLogP1.35
TPSA117.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168626387
2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626742
2-N-[[3-(methoxymethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625808
2-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627876
2-N-[[3-(prop-2-enoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626078
2-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627336
2-N-[(3-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627054
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822
2-N-[[3-[(2-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627303
2-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626867
2-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627147

Frequently Asked Questions

What is the IUPAC name of 2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (CID 168627342) is 2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2cccc(-c3nn[nH]n3)c2)n1.
What is the InChIKey of 2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is CPJOVUPDPCSGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N8S/c12-9-6-20-11(14-9)17-13-5-7-2-1-3-8(4-7)10-15-18-19-16-10/h1-6H,12H2,(H,14,17)(H,15,16,18,19).
What are the key properties of 2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 286.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168627342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).