N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C19H16N2O2S2 — CID 30709085

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C)c2sc(N(Cc3ccco3)C(=O)c3cccs3)nc2c1
InChIInChI=1S/C19H16N2O2S2/c1-12-9-13(2)17-15(10-12)20-19(25-17)21(11-14-5-3-7-23-14)18(22)16-6-4-8-24-16/h3-10H,11H2,1-2H3
InChIKeyVNSVDGAZMVAWIW-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.41
Rot. Bonds4

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 30709085) has the molecular formula C19H16N2O2S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID30709085
Molecular FormulaC19H16N2O2S2
Molecular Weight368.48 g/mol
Exact Mass368.07
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C)c2sc(N(Cc3ccco3)C(=O)c3cccs3)nc2c1
InChIInChI=1S/C19H16N2O2S2/c1-12-9-13(2)17-15(10-12)20-19(25-17)21(11-14-5-3-7-23-14)18(22)16-6-4-8-24-16/h3-10H,11H2,1-2H3
InChIKeyVNSVDGAZMVAWIW-UHFFFAOYSA-N
XLogP5.41
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
CID 30709273
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 30709052
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitrobenzamide
CID 30709345
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 30711431
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 30709092
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 30706405
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide
CID 30709560
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 40946816
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 30712683
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 18581843
ethyl 4-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 44949299
N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1139483

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 30709085) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide is Cc1cc(C)c2sc(N(Cc3ccco3)C(=O)c3cccs3)nc2c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is VNSVDGAZMVAWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S2/c1-12-9-13(2)17-15(10-12)20-19(25-17)21(11-14-5-3-7-23-14)18(22)16-6-4-8-24-16/h3-10H,11H2,1-2H3.
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 30709085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).