N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

C15H14N2O4S — CID 2159338

IUPACN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCOc1ccc(OC)c2c1s/c(=N\C(=O)c1ccco1)n2C
InChIInChI=1S/C15H14N2O4S/c1-17-12-9(19-2)6-7-10(20-3)13(12)22-15(17)16-14(18)11-5-4-8-21-11/h4-8H,1-3H3/b16-15-
InChIKeyGSJKLQPKAFBFEM-NXVVXOECSA-N
MW318.35 g/mol
LogP2.59
Rot. Bonds3

About N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (PubChem CID 2159338) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
PubChem CID2159338
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCOc1ccc(OC)c2c1s/c(=N\C(=O)c1ccco1)n2C
InChIInChI=1S/C15H14N2O4S/c1-17-12-9(19-2)6-7-10(20-3)13(12)22-15(17)16-14(18)11-5-4-8-21-11/h4-8H,1-3H3/b16-15-
InChIKeyGSJKLQPKAFBFEM-NXVVXOECSA-N
XLogP2.59
TPSA65.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (CID 2159338) is N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccco1)n2C.
What is the InChIKey of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is GSJKLQPKAFBFEM-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-17-12-9(19-2)6-7-10(20-3)13(12)22-15(17)16-14(18)11-5-4-8-21-11/h4-8H,1-3H3/b16-15-.
What are the key properties of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 2159338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).