N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide

C16H16N4O4S — CID 17392432

IUPACN-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(-c2nc(C(=O)NNC(=O)C(=O)NC3CC3)cs2)cc1
InChIInChI=1S/C16H16N4O4S/c1-24-11-6-2-9(3-7-11)16-18-12(8-25-16)13(21)19-20-15(23)14(22)17-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,17,22)(H,19,21)(H,20,23)
InChIKeyIJPMYVLLEGBODS-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.86
Rot. Bonds4

About N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide

N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide (PubChem CID 17392432) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide
PubChem CID17392432
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC NameN-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(-c2nc(C(=O)NNC(=O)C(=O)NC3CC3)cs2)cc1
InChIInChI=1S/C16H16N4O4S/c1-24-11-6-2-9(3-7-11)16-18-12(8-25-16)13(21)19-20-15(23)14(22)17-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,17,22)(H,19,21)(H,20,23)
InChIKeyIJPMYVLLEGBODS-UHFFFAOYSA-N
XLogP0.86
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 35929815
2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 17490161
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135419
methyl 2-[2-[[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate
CID 170970129
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18163813

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide (CID 17392432) is N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide is COc1ccc(-c2nc(C(=O)NNC(=O)C(=O)NC3CC3)cs2)cc1.
What is the InChIKey of N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide?
The InChIKey is IJPMYVLLEGBODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-24-11-6-2-9(3-7-11)16-18-12(8-25-16)13(21)19-20-15(23)14(22)17-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,17,22)(H,19,21)(H,20,23).
What are the key properties of N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide?
N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide has a molecular weight of 360.40 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 17392432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).