2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine

C14H12N4S — CID 168625528

IUPAC2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2cccc3ccccc23)n1
InChIInChI=1S/C14H12N4S/c15-13-9-19-14(17-13)18-16-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,15H2,(H,17,18)
InChIKeyXHJMTFXJODCDAK-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.32
Rot. Bonds3

About 2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine

2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine (PubChem CID 168625528) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
PubChem CID168625528
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2cccc3ccccc23)n1
InChIInChI=1S/C14H12N4S/c15-13-9-19-14(17-13)18-16-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,15H2,(H,17,18)
InChIKeyXHJMTFXJODCDAK-UHFFFAOYSA-N
XLogP3.32
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-N-[(5-fluoronaphthalen-1-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628122
2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628178
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
CID 168625735
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
2-N-[[2-(4-fluorophenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626295
N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide
CID 168627401
2-N-[[2-(piperidin-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625974
2-N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627205
2-N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626182
2-N-[[2-(4-tert-butylphenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627709
2-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626232

Frequently Asked Questions

What is the IUPAC name of 2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine (CID 168625528) is 2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2cccc3ccccc23)n1.
What is the InChIKey of 2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine?
The InChIKey is XHJMTFXJODCDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-13-9-19-14(17-13)18-16-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,15H2,(H,17,18).
What are the key properties of 2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine?
2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine has a molecular weight of 268.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168625528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).