N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

C19H17FN4O2S — CID 16948969

IUPACN-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN4O2S/c1-2-12-3-7-14(8-4-12)21-17(25)16-11-27-19(23-16)24-18(26)22-15-9-5-13(20)6-10-15/h3-11H,2H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyLFJUVIQCNXQSLX-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.74
Rot. Bonds5

About N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 16948969) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
PubChem CID16948969
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC NameN-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN4O2S/c1-2-12-3-7-14(8-4-12)21-17(25)16-11-27-19(23-16)24-18(26)22-15-9-5-13(20)6-10-15/h3-11H,2H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyLFJUVIQCNXQSLX-UHFFFAOYSA-N
XLogP4.74
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16949036
2-[(4-fluorophenyl)carbamoylamino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16948948
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16954889
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355
N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948615
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 26841633

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (CID 16948969) is N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is CCc1ccc(NC(=O)c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is LFJUVIQCNXQSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-2-12-3-7-14(8-4-12)21-17(25)16-11-27-19(23-16)24-18(26)22-15-9-5-13(20)6-10-15/h3-11H,2H2,1H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).