N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide

C20H15FN4OS — CID 1490007

IUPACN-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
SMILESCc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC=O)n2)cc1
InChIInChI=1S/C20H15FN4OS/c1-13-2-4-15(5-3-13)18-11-27-20(23-18)25-19(22-12-26)10-17(24-25)14-6-8-16(21)9-7-14/h2-12H,1H3,(H,22,26)
InChIKeyGKUIVBHZINAZJN-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.68
Rot. Bonds5

About N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide

N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide (PubChem CID 1490007) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
PubChem CID1490007
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
SMILESCc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC=O)n2)cc1
InChIInChI=1S/C20H15FN4OS/c1-13-2-4-15(5-3-13)18-11-27-20(23-18)25-19(22-12-26)10-17(24-25)14-6-8-16(21)9-7-14/h2-12H,1H3,(H,22,26)
InChIKeyGKUIVBHZINAZJN-UHFFFAOYSA-N
XLogP4.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chlorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
CID 1489999
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829
2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 4873520
N-[3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1498355
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine
CID 126850275
(3S)-1-(4-fluorophenyl)-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 25281799
ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 1498339
2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 1489969
N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1490075
3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 90571163
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442
methyl 5-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]triazole-4-carboxylate
CID 94962515

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide (CID 1490007) is N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide is Cc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC=O)n2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide?
The InChIKey is GKUIVBHZINAZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-13-2-4-15(5-3-13)18-11-27-20(23-18)25-19(22-12-26)10-17(24-25)14-6-8-16(21)9-7-14/h2-12H,1H3,(H,22,26).
What are the key properties of N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide?
N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide has a molecular weight of 378.43 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide is sourced from PubChem (CID 1490007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).