2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide

C17H12FN5OS — CID 118064709

IUPAC2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(C#N)cc2)sc1C(=O)NNc1ccc(F)nc1
InChIInChI=1S/C17H12FN5OS/c1-10-15(16(24)23-22-13-6-7-14(18)20-9-13)25-17(21-10)12-4-2-11(8-19)3-5-12/h2-7,9,22H,1H3,(H,23,24)
InChIKeyFCZOFGKOXUCCSK-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide

2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 118064709) has the molecular formula C17H12FN5OS and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID118064709
Molecular FormulaC17H12FN5OS
Molecular Weight353.38 g/mol
Exact Mass353.07
IUPAC Name2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(C#N)cc2)sc1C(=O)NNc1ccc(F)nc1
InChIInChI=1S/C17H12FN5OS/c1-10-15(16(24)23-22-13-6-7-14(18)20-9-13)25-17(21-10)12-4-2-11(8-19)3-5-12/h2-7,9,22H,1H3,(H,23,24)
InChIKeyFCZOFGKOXUCCSK-UHFFFAOYSA-N
XLogP3.28
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide
CID 118064642
N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9085819
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163
2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide
CID 55439179
2-(4-cyanophenyl)-N-[3-(2,4-difluorophenyl)-3-hydroxy-4-imidazol-1-ylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 67557317
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
2-(4-cyanophenyl)-N-[(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 5480221
2-(4-fluorophenyl)-4-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 30267798
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788224
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide (CID 118064709) is 2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccc(C#N)cc2)sc1C(=O)NNc1ccc(F)nc1.
What is the InChIKey of 2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is FCZOFGKOXUCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5OS/c1-10-15(16(24)23-22-13-6-7-14(18)20-9-13)25-17(21-10)12-4-2-11(8-19)3-5-12/h2-7,9,22H,1H3,(H,23,24).
What are the key properties of 2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 353.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N'-(6-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 118064709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).