N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide

C20H16FN3O2S — CID 43987115

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c(C)o1
InChIInChI=1S/C20H16FN3O2S/c1-12-9-16(13(2)26-12)19(25)24(11-15-5-3-4-8-22-15)20-23-17-7-6-14(21)10-18(17)27-20/h3-10H,11H2,1-2H3
InChIKeyUAJJNLXBDWFJFQ-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.89
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide (PubChem CID 43987115) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide
PubChem CID43987115
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c(C)o1
InChIInChI=1S/C20H16FN3O2S/c1-12-9-16(13(2)26-12)19(25)24(11-15-5-3-4-8-22-15)20-23-17-7-6-14(21)10-18(17)27-20/h3-10H,11H2,1-2H3
InChIKeyUAJJNLXBDWFJFQ-UHFFFAOYSA-N
XLogP4.89
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide (CID 43987115) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide is Cc1cc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c(C)o1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide?
The InChIKey is UAJJNLXBDWFJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-12-9-16(13(2)26-12)19(25)24(11-15-5-3-4-8-22-15)20-23-17-7-6-14(21)10-18(17)27-20/h3-10H,11H2,1-2H3.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 43987115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).