N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide

C13H12N4O4S — CID 29259935

IUPACN'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide
SMILESCc1nc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cs1
InChIInChI=1S/C13H12N4O4S/c1-8-14-10(7-22-8)6-12(18)15-16-13(19)9-3-2-4-11(5-9)17(20)21/h2-5,7H,6H2,1H3,(H,15,18)(H,16,19)
InChIKeySVVJZYTYZLGUOQ-UHFFFAOYSA-N
MW320.33 g/mol
LogP1.36
Rot. Bonds4

About N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide

N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide (PubChem CID 29259935) has the molecular formula C13H12N4O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide
PubChem CID29259935
Molecular FormulaC13H12N4O4S
Molecular Weight320.33 g/mol
Exact Mass320.06
IUPAC NameN'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide
SMILESCc1nc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cs1
InChIInChI=1S/C13H12N4O4S/c1-8-14-10(7-22-8)6-12(18)15-16-13(19)9-3-2-4-11(5-9)17(20)21/h2-5,7H,6H2,1H3,(H,15,18)(H,16,19)
InChIKeySVVJZYTYZLGUOQ-UHFFFAOYSA-N
XLogP1.36
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide
CID 27662809
2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
CID 19242160
N'-[3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]-3-nitrobenzohydrazide
CID 55486432
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 9040817
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide
CID 8573535
N'-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitrobenzohydrazide
CID 46661601
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide (CID 29259935) is N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide is Cc1nc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cs1.
What is the InChIKey of N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide?
The InChIKey is SVVJZYTYZLGUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4S/c1-8-14-10(7-22-8)6-12(18)15-16-13(19)9-3-2-4-11(5-9)17(20)21/h2-5,7H,6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide?
N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide has a molecular weight of 320.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 29259935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).