2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine

C14H16N6O3S — CID 168627064

IUPAC2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2cc(N3CCOCC3)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C14H16N6O3S/c15-13-9-24-14(17-13)18-16-8-10-7-11(1-2-12(10)20(21)22)19-3-5-23-6-4-19/h1-2,7-9H,3-6,15H2,(H,17,18)
InChIKeyMYYWSHNSUVICOZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP1.92
Rot. Bonds5

About 2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168627064) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168627064
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2cc(N3CCOCC3)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C14H16N6O3S/c15-13-9-24-14(17-13)18-16-8-10-7-11(1-2-12(10)20(21)22)19-3-5-23-6-4-19/h1-2,7-9H,3-6,15H2,(H,17,18)
InChIKeyMYYWSHNSUVICOZ-UHFFFAOYSA-N
XLogP1.92
TPSA118.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 168625605
2-N-[(2-nitro-5-phenoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627847
2-N-[(3-fluoro-4-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625811
4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenoxy]butanoic acid
CID 168626304
2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625690
2-N-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625935
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methoxy-6-nitrophenol
CID 168626377
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
(E)-3-(5-morpholin-4-yl-2-nitrophenyl)prop-2-enoic acid
CID 71628737
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol
CID 168626376
2-N-[[3-nitro-4-(trifluoromethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628370
N-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenyl]acetamide
CID 168628252

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168627064) is 2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2cc(N3CCOCC3)ccc2[N+](=O)[O-])n1.
What is the InChIKey of 2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is MYYWSHNSUVICOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c15-13-9-24-14(17-13)18-16-8-10-7-11(1-2-12(10)20(21)22)19-3-5-23-6-4-19/h1-2,7-9H,3-6,15H2,(H,17,18).
What are the key properties of 2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 348.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168627064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).