2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide

C16H10F2N4O2S2 — CID 112843089

IUPAC2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C16H10F2N4O2S2/c17-8-4-10-11(5-9(8)18)20-15(19-10)26-7-14(23)22-16-21-12(6-25-16)13-2-1-3-24-13/h1-6H,7H2,(H,19,20)(H,21,22,23)
InChIKeyGQCOMTOCUUNINQ-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.29
Rot. Bonds5

About 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide

2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 112843089) has the molecular formula C16H10F2N4O2S2 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID112843089
Molecular FormulaC16H10F2N4O2S2
Molecular Weight392.41 g/mol
Exact Mass392.02
IUPAC Name2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C16H10F2N4O2S2/c17-8-4-10-11(5-9(8)18)20-15(19-10)26-7-14(23)22-16-21-12(6-25-16)13-2-1-3-24-13/h1-6H,7H2,(H,19,20)(H,21,22,23)
InChIKeyGQCOMTOCUUNINQ-UHFFFAOYSA-N
XLogP4.29
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide (CID 112843089) is 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide is O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1nc(-c2ccco2)cs1.
What is the InChIKey of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GQCOMTOCUUNINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O2S2/c17-8-4-10-11(5-9(8)18)20-15(19-10)26-7-14(23)22-16-21-12(6-25-16)13-2-1-3-24-13/h1-6H,7H2,(H,19,20)(H,21,22,23).
What are the key properties of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide?
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 392.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 112843089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).