N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide

C15H13N3O2S — CID 665950

IUPACN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccco1
InChIInChI=1S/C15H13N3O2S/c19-15(13-2-1-6-20-13)16-10-3-4-12-11(8-10)17-14-9-21-7-5-18(12)14/h1-4,6,8H,5,7,9H2,(H,16,19)
InChIKeyDEPIOUCUZMDKDH-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.13
Rot. Bonds2

About N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide (PubChem CID 665950) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide
PubChem CID665950
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccco1
InChIInChI=1S/C15H13N3O2S/c19-15(13-2-1-6-20-13)16-10-3-4-12-11(8-10)17-14-9-21-7-5-18(12)14/h1-4,6,8H,5,7,9H2,(H,16,19)
InChIKeyDEPIOUCUZMDKDH-UHFFFAOYSA-N
XLogP3.13
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide (CID 665950) is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccco1.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide?
The InChIKey is DEPIOUCUZMDKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-15(13-2-1-6-20-13)16-10-3-4-12-11(8-10)17-14-9-21-7-5-18(12)14/h1-4,6,8H,5,7,9H2,(H,16,19).
What are the key properties of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide?
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)furan-2-carboxamide is sourced from PubChem (CID 665950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).