N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine

C14H17N5O2S — CID 9077230

IUPACN,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(/C=N\Nc2cccc([N+](=O)[O-])c2)s1
InChIInChI=1S/C14H17N5O2S/c1-3-18(4-2)14-15-9-13(22-14)10-16-17-11-6-5-7-12(8-11)19(20)21/h5-10,17H,3-4H2,1-2H3/b16-10-
InChIKeyKVTCZJGOYYLJJM-YBEGLDIGSA-N
MW319.39 g/mol
LogP3.34
Rot. Bonds7

About N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine (PubChem CID 9077230) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine
PubChem CID9077230
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(/C=N\Nc2cccc([N+](=O)[O-])c2)s1
InChIInChI=1S/C14H17N5O2S/c1-3-18(4-2)14-15-9-13(22-14)10-16-17-11-6-5-7-12(8-11)19(20)21/h5-10,17H,3-4H2,1-2H3/b16-10-
InChIKeyKVTCZJGOYYLJJM-YBEGLDIGSA-N
XLogP3.34
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[(E)-ethylideneamino]-3-nitroaniline
CID 13200787
3-nitro-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline
CID 3634542
N-[(3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842391
N-[(Z)-(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-3-nitroaniline
CID 9077428
N-[(Z)-2-ethylbutylideneamino]-3-nitroaniline
CID 9077557
N-[(2-methylphenyl)methylideneamino]-3-nitroaniline
CID 4617596
N-[[5-chloro-1-[(4-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-3-nitroaniline
CID 3918515
N-(2-chloroethylideneamino)-3-nitroaniline
CID 110842338
2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135730506
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline
CID 6282814
2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 5098428
N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 3290260

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine (CID 9077230) is N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(/C=N\Nc2cccc([N+](=O)[O-])c2)s1.
What is the InChIKey of N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine?
The InChIKey is KVTCZJGOYYLJJM-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-3-18(4-2)14-15-9-13(22-14)10-16-17-11-6-5-7-12(8-11)19(20)21/h5-10,17H,3-4H2,1-2H3/b16-10-.
What are the key properties of N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine has a molecular weight of 319.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 9077230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).