N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

C14H12N2O2S — CID 702340

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C14H12N2O2S/c1-8-6-9(2)12-11(7-8)19-14(15-12)16-13(17)10-4-3-5-18-10/h3-7H,1-2H3,(H,15,16,17)
InChIKeyQDNFWKWRSIUGLJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.76
Rot. Bonds2

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 702340) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID702340
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C14H12N2O2S/c1-8-6-9(2)12-11(7-8)19-14(15-12)16-13(17)10-4-3-5-18-10/h3-7H,1-2H3,(H,15,16,17)
InChIKeyQDNFWKWRSIUGLJ-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-furoylamino)-N-mesityl-4-methyl-1,3-thiazole-5-carboxamide
CID 21911271
N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide
CID 565816
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide
CID 4646592
A1/A3 AR antagonist 2
CID 162673862
5-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 795005
N-(6-bromo-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 896391

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 702340) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1cc(C)c2nc(NC(=O)c3ccco3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is QDNFWKWRSIUGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-6-9(2)12-11(7-8)19-14(15-12)16-13(17)10-4-3-5-18-10/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 702340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).