N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide

C18H18N4O3S2 — CID 18283839

IUPACN'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)Cc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-25-15-4-2-13(3-5-15)19-9-17(24)22-21-16(23)8-14-11-27-18(20-14)12-6-7-26-10-12/h2-7,10-11,19H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyKABUCQUVBWHELL-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.68
Rot. Bonds7

About N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide

N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide (PubChem CID 18283839) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
PubChem CID18283839
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)Cc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-25-15-4-2-13(3-5-15)19-9-17(24)22-21-16(23)8-14-11-27-18(20-14)12-6-7-26-10-12/h2-7,10-11,19H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyKABUCQUVBWHELL-UHFFFAOYSA-N
XLogP2.68
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 78823652
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203960
3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46651422
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129846
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate
CID 18273893
[2-(3-methoxyanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129205
N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
2-methoxy-3-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 106107521

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide?
The IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide (CID 18283839) is N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide?
The canonical SMILES for N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide is COc1ccc(NCC(=O)NNC(=O)Cc2csc(-c3ccsc3)n2)cc1.
What is the InChIKey of N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide?
The InChIKey is KABUCQUVBWHELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-25-15-4-2-13(3-5-15)19-9-17(24)22-21-16(23)8-14-11-27-18(20-14)12-6-7-26-10-12/h2-7,10-11,19H,8-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide?
N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide has a molecular weight of 402.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide is sourced from PubChem (CID 18283839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).