N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide

C18H18N4O2S2 — CID 55439956

IUPACN'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2csc(-c3cccs3)n2)c(C)c1
InChIInChI=1S/C18H18N4O2S2/c1-11-5-6-13(12(2)8-11)19-9-16(23)21-22-17(24)14-10-26-18(20-14)15-4-3-7-25-15/h3-8,10,19H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySVCYKEPWXROGTO-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.36
Rot. Bonds5

About N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide

N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 55439956) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
PubChem CID55439956
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2csc(-c3cccs3)n2)c(C)c1
InChIInChI=1S/C18H18N4O2S2/c1-11-5-6-13(12(2)8-11)19-9-16(23)21-22-17(24)14-10-26-18(20-14)15-4-3-7-25-15/h3-8,10,19H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySVCYKEPWXROGTO-UHFFFAOYSA-N
XLogP3.36
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.36
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

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
CID 26760635
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 56502481
N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
CID 51429705
(2,4-dimethylphenyl) 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 34055279
2-(2,4-dimethylanilino)-N'-[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]acetohydrazide
CID 55439904
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 49340132
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9045051
2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
CID 26738509
2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 56504272
N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide
CID 102603450

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide (CID 55439956) is N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2csc(-c3cccs3)n2)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is SVCYKEPWXROGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11-5-6-13(12(2)8-11)19-9-16(23)21-22-17(24)14-10-26-18(20-14)15-4-3-7-25-15/h3-8,10,19H,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 386.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 55439956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).