N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide

C20H16FN5O3S — CID 18127855

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3cncn3-c3ccc(F)cc3)n2)o1
InChIInChI=1S/C20H16FN5O3S/c1-12(27)23-8-15-6-7-18(29-15)16-10-30-20(24-16)25-19(28)17-9-22-11-26(17)14-4-2-13(21)3-5-14/h2-7,9-11H,8H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyRXDWZKPWKMNVMQ-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.62
Rot. Bonds6

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 18127855) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID18127855
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3cncn3-c3ccc(F)cc3)n2)o1
InChIInChI=1S/C20H16FN5O3S/c1-12(27)23-8-15-6-7-18(29-15)16-10-30-20(24-16)25-19(28)17-9-22-11-26(17)14-4-2-13(21)3-5-14/h2-7,9-11H,8H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyRXDWZKPWKMNVMQ-UHFFFAOYSA-N
XLogP3.62
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide (CID 18127855) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3cncn3-c3ccc(F)cc3)n2)o1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is RXDWZKPWKMNVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c1-12(27)23-8-15-6-7-18(29-15)16-10-30-20(24-16)25-19(28)17-9-22-11-26(17)14-4-2-13(21)3-5-14/h2-7,9-11H,8H2,1H3,(H,23,27)(H,24,25,28).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 18127855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).