N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide

C18H14N2O2S2 — CID 18121711

IUPACN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(c1ccc2ncsc2c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H14N2O2S2/c21-18(13-5-6-16-17(9-13)24-12-19-16)20(10-14-3-1-7-22-14)11-15-4-2-8-23-15/h1-9,12H,10-11H2
InChIKeyHWTHMUGULCGSQS-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.79
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 18121711) has the molecular formula C18H14N2O2S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID18121711
Molecular FormulaC18H14N2O2S2
Molecular Weight354.46 g/mol
Exact Mass354.05
IUPAC NameN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(c1ccc2ncsc2c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H14N2O2S2/c21-18(13-5-6-16-17(9-13)24-12-19-16)20(10-14-3-1-7-22-14)11-15-4-2-8-23-15/h1-9,12H,10-11H2
InChIKeyHWTHMUGULCGSQS-UHFFFAOYSA-N
XLogP4.79
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
N-(furan-2-ylmethyl)-3-(pyrimidin-2-ylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 31836707
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
6-(cyclopropylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 60563513
3-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 31836048
N-(furan-2-ylmethyl)-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461194
N-(furan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 31834240
4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9094982
N-[2-chloro-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 27833022
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 2444224

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide (CID 18121711) is N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide is O=C(c1ccc2ncsc2c1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is HWTHMUGULCGSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S2/c21-18(13-5-6-16-17(9-13)24-12-19-16)20(10-14-3-1-7-22-14)11-15-4-2-8-23-15/h1-9,12H,10-11H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 18121711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).