2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine

C17H18N4O2S2 — CID 168626333

IUPAC2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCOc1ccc(C=NNc2nc(N)cs2)cc1CSCc1ccco1
InChIInChI=1S/C17H18N4O2S2/c1-22-15-5-4-12(8-19-21-17-20-16(18)11-25-17)7-13(15)9-24-10-14-3-2-6-23-14/h2-8,11H,9-10,18H2,1H3,(H,20,21)
InChIKeyTXFBRFWFWAJUDY-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.21
Rot. Bonds8

About 2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168626333) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168626333
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCOc1ccc(C=NNc2nc(N)cs2)cc1CSCc1ccco1
InChIInChI=1S/C17H18N4O2S2/c1-22-15-5-4-12(8-19-21-17-20-16(18)11-25-17)7-13(15)9-24-10-14-3-2-6-23-14/h2-8,11H,9-10,18H2,1H3,(H,20,21)
InChIKeyTXFBRFWFWAJUDY-UHFFFAOYSA-N
XLogP4.21
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
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-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine with MolForge

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Related Compounds

2-N-[[3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626534
2-N-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626322
2-N-[(4-iodo-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628362
2-N-[[3-(2-ethoxyethoxy)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627439
2-N-[[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626329
2-N-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626633
2-N-[[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626338
2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625792
ethyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 168626970
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 168627267
2-N-[(3-chloro-4-propoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626909
methyl 5-[[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 168626507

Frequently Asked Questions

What is the IUPAC name of 2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine (CID 168626333) is 2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine is COc1ccc(C=NNc2nc(N)cs2)cc1CSCc1ccco1.
What is the InChIKey of 2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is TXFBRFWFWAJUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-22-15-5-4-12(8-19-21-17-20-16(18)11-25-17)7-13(15)9-24-10-14-3-2-6-23-14/h2-8,11H,9-10,18H2,1H3,(H,20,21).
What are the key properties of 2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 374.49 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168626333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).