N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide

C20H14FN5O2S2 — CID 55818537

IUPACN'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H14FN5O2S2/c1-11-16(30-20(24-11)17-22-9-2-10-23-17)19(28)26-25-18(27)15-8-7-14(29-15)12-3-5-13(21)6-4-12/h2-10H,1H3,(H,25,27)(H,26,28)
InChIKeyRHSZWEXGYCUFFV-UHFFFAOYSA-N
MW439.50 g/mol
LogP3.85
Rot. Bonds4

About N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide

N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 55818537) has the molecular formula C20H14FN5O2S2 and a molecular weight of 439.50 g/mol. Its IUPAC name is N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide
PubChem CID55818537
Molecular FormulaC20H14FN5O2S2
Molecular Weight439.50 g/mol
Exact Mass439.06
IUPAC NameN'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H14FN5O2S2/c1-11-16(30-20(24-11)17-22-9-2-10-23-17)19(28)26-25-18(27)15-8-7-14(29-15)12-3-5-13(21)6-4-12/h2-10H,1H3,(H,25,27)(H,26,28)
InChIKeyRHSZWEXGYCUFFV-UHFFFAOYSA-N
XLogP3.85
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide
CID 37214158
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide
CID 55439179
5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide
CID 24554163
methyl 3-(4-fluorophenyl)-3-[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoate
CID 55994668
5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide
CID 9140377
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 24514494
N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 100617450
5-(4-fluorophenyl)-N'-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]thiophene-2-carbohydrazide
CID 36682472
N-(4-carbamoylphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 60527460

Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide (CID 55818537) is N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ncccn2)sc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is RHSZWEXGYCUFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2S2/c1-11-16(30-20(24-11)17-22-9-2-10-23-17)19(28)26-25-18(27)15-8-7-14(29-15)12-3-5-13(21)6-4-12/h2-10H,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide?
N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 439.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55818537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).