2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide

C20H20FN3OS — CID 30142215

IUPAC2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H20FN3OS/c1-12(2)14-4-8-16(9-5-14)23-19(25)18-13(3)22-20(26-18)24-17-10-6-15(21)7-11-17/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyRFXUPKYCCMCWDL-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.71
Rot. Bonds5

About 2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide

2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 30142215) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID30142215
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H20FN3OS/c1-12(2)14-4-8-16(9-5-14)23-19(25)18-13(3)22-20(26-18)24-17-10-6-15(21)7-11-17/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyRFXUPKYCCMCWDL-UHFFFAOYSA-N
XLogP5.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
2-(4-fluoroanilino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 30142360
2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30142300
2-(4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 30142552
N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142209
2-(4-fluoroanilino)-4-methyl-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30142383
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897770
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691
N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142092
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944982
2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152843

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide (CID 30142215) is 2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RFXUPKYCCMCWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-12(2)14-4-8-16(9-5-14)23-19(25)18-13(3)22-20(26-18)24-17-10-6-15(21)7-11-17/h4-12H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30142215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).