N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C24H20FN3O2S2 — CID 55670322

IUPACN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1sc(C)c(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C24H20FN3O2S2/c1-13-21(32-18(27-13)12-15-8-10-17(25)11-9-15)23(30)28-24-20(22(26)29)19(14(2)31-24)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,26,29)(H,28,30)
InChIKeyPPKOEDCIBDNXIM-UHFFFAOYSA-N
MW465.58 g/mol
LogP5.57
Rot. Bonds6

About N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55670322) has the molecular formula C24H20FN3O2S2 and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55670322
Molecular FormulaC24H20FN3O2S2
Molecular Weight465.58 g/mol
Exact Mass465.10
IUPAC NameN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1sc(C)c(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C24H20FN3O2S2/c1-13-21(32-18(27-13)12-15-8-10-17(25)11-9-15)23(30)28-24-20(22(26)29)19(14(2)31-24)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,26,29)(H,28,30)
InChIKeyPPKOEDCIBDNXIM-UHFFFAOYSA-N
XLogP5.57
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
N-(5-carbamoyl-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 78869889
2-[(4-fluorophenyl)methyl]-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55650082
2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
CID 119187590
methyl 2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 60599648
N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119521585
2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
CID 1245031
(2S,3S)-2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119194046
2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-methylpentanoic acid
CID 119192094
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 55572668
N-[5-[(3-amino-3-oxopropyl)carbamoyl]-2-fluorophenyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166194798
2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899827

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 55670322) is N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1sc(C)c(-c2ccccc2)c1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PPKOEDCIBDNXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2S2/c1-13-21(32-18(27-13)12-15-8-10-17(25)11-9-15)23(30)28-24-20(22(26)29)19(14(2)31-24)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,26,29)(H,28,30).
What are the key properties of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55670322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).