N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide

C13H14N4O3S — CID 777817

IUPACN'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)Cc2csc(N)n2)c1
InChIInChI=1S/C13H14N4O3S/c1-20-10-4-2-3-8(5-10)12(19)17-16-11(18)6-9-7-21-13(14)15-9/h2-5,7H,6H2,1H3,(H2,14,15)(H,16,18)(H,17,19)
InChIKeyKVBWKKSHXXPUSL-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.74
Rot. Bonds4

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

N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide (PubChem CID 777817) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide
PubChem CID777817
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)Cc2csc(N)n2)c1
InChIInChI=1S/C13H14N4O3S/c1-20-10-4-2-3-8(5-10)12(19)17-16-11(18)6-9-7-21-13(14)15-9/h2-5,7H,6H2,1H3,(H2,14,15)(H,16,18)(H,17,19)
InChIKeyKVBWKKSHXXPUSL-UHFFFAOYSA-N
XLogP0.74
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675
N'-[4-(3-methoxyphenyl)-2-thiazolyl]-2-thiophenecarbohydrazide
CID 2817112
3-(2-Fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572162
N'-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide
CID 3304304
Ethyl {2-[(3-methoxybenzoyl)amino]-1,3-thiazol-4-yl}acetate
CID 814167
2-amino-5-ethoxy-N-(4-methylthiazol-2-yl)benzamide
CID 44564889
3-(3-Fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572202
3-(4-Fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572245
3-(3-Methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572247
3-(4-Methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572248
N-[3-hydroxy-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-1-yl]-3-methoxybenzamide
CID 135431977

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide?
The IUPAC name of N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide (CID 777817) is N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide is COc1cccc(C(=O)NNC(=O)Cc2csc(N)n2)c1.
What is the InChIKey of N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide?
The InChIKey is KVBWKKSHXXPUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-20-10-4-2-3-8(5-10)12(19)17-16-11(18)6-9-7-21-13(14)15-9/h2-5,7H,6H2,1H3,(H2,14,15)(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide?
N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide has a molecular weight of 306.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 777817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).