N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide

C20H16F2N4OS2 — CID 24626228

IUPACN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)cc1
InChIInChI=1S/C20H16F2N4OS2/c1-11-3-5-13(6-4-11)14-7-10-28-16(14)18(27)25-20-24-12(2)15(29-20)17-23-8-9-26(17)19(21)22/h3-10,19H,1-2H3,(H,24,25,27)
InChIKeyVDIZMVYNQGWRHZ-UHFFFAOYSA-N
MW430.51 g/mol
LogP6.00
Rot. Bonds5

About N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 24626228) has the molecular formula C20H16F2N4OS2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID24626228
Molecular FormulaC20H16F2N4OS2
Molecular Weight430.51 g/mol
Exact Mass430.07
IUPAC NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)cc1
InChIInChI=1S/C20H16F2N4OS2/c1-11-3-5-13(6-4-11)14-7-10-28-16(14)18(27)25-20-24-12(2)15(29-20)17-23-8-9-26(17)19(21)22/h3-10,19H,1-2H3,(H,24,25,27)
InChIKeyVDIZMVYNQGWRHZ-UHFFFAOYSA-N
XLogP6.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 24626228) is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)cc1.
What is the InChIKey of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is VDIZMVYNQGWRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4OS2/c1-11-3-5-13(6-4-11)14-7-10-28-16(14)18(27)25-20-24-12(2)15(29-20)17-23-8-9-26(17)19(21)22/h3-10,19H,1-2H3,(H,24,25,27).
What are the key properties of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 24626228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).