2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide

C20H19FN4O2S — CID 55439179

IUPAC2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C20H19FN4O2S/c1-12-3-9-16(10-4-12)22-11-17(26)24-25-19(27)18-13(2)23-20(28-18)14-5-7-15(21)8-6-14/h3-10,22H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyYKORSKAYKUYQST-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.44
Rot. Bonds5

About 2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide

2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 55439179) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide
PubChem CID55439179
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C20H19FN4O2S/c1-12-3-9-16(10-4-12)22-11-17(26)24-25-19(27)18-13(2)23-20(28-18)14-5-7-15(21)8-6-14/h3-10,22H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyYKORSKAYKUYQST-UHFFFAOYSA-N
XLogP3.44
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N'-[2-(4-methylanilino)acetyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 18293182
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477
2-(4-fluorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
N'-[2-(3-fluorophenyl)acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418648
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 119204182
N-[4-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 25439927
1-(4-fluorophenyl)-3-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 9085390
N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide
CID 55818537
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide (CID 55439179) is 2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is YKORSKAYKUYQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-12-3-9-16(10-4-12)22-11-17(26)24-25-19(27)18-13(2)23-20(28-18)14-5-7-15(21)8-6-14/h3-10,22H,11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide?
2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 398.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55439179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).