4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

C13H12N6S2 — CID 2867543

IUPAC4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(NN=Cc2cccnc2)n1
InChIInChI=1S/C13H12N6S2/c1-8-11(21-12(14)17-8)10-7-20-13(18-10)19-16-6-9-3-2-4-15-5-9/h2-7H,1H3,(H2,14,17)(H,18,19)
InChIKeyZLOHRHUNUWQDDZ-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.00
Rot. Bonds4

About 4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 2867543) has the molecular formula C13H12N6S2 and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
PubChem CID2867543
Molecular FormulaC13H12N6S2
Molecular Weight316.42 g/mol
Exact Mass316.06
IUPAC Name4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(NN=Cc2cccnc2)n1
InChIInChI=1S/C13H12N6S2/c1-8-11(21-12(14)17-8)10-7-20-13(18-10)19-16-6-9-3-2-4-15-5-9/h2-7H,1H3,(H2,14,17)(H,18,19)
InChIKeyZLOHRHUNUWQDDZ-UHFFFAOYSA-N
XLogP3.00
TPSA89.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
CID 45124174
4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 45124176
ethyl 2-[2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5350042
4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide
CID 87680694
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
CID 2866860
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441
N-[(Z)-pyridin-4-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110539249
1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide
CID 2877428
N-[(E)-benzylideneamino]-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11393768
6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789675
N-[(3-methoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 3138871
4-(3,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110538194

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (CID 2867543) is 4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1csc(NN=Cc2cccnc2)n1.
What is the InChIKey of 4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is ZLOHRHUNUWQDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S2/c1-8-11(21-12(14)17-8)10-7-20-13(18-10)19-16-6-9-3-2-4-15-5-9/h2-7H,1H3,(H2,14,17)(H,18,19).
What are the key properties of 4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 316.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2867543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).