2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide

C13H9ClN2O2S — CID 100786923

IUPAC2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2sc(Cl)nc2c1
InChIInChI=1S/C13H9ClN2O2S/c14-13-16-10-6-8(3-4-11(10)19-13)12(17)15-7-9-2-1-5-18-9/h1-6H,7H2,(H,15,17)
InChIKeyHFQWXYKGODXWBJ-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.47
Rot. Bonds3

About 2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide

2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide (PubChem CID 100786923) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
PubChem CID100786923
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2sc(Cl)nc2c1
InChIInChI=1S/C13H9ClN2O2S/c14-13-16-10-6-8(3-4-11(10)19-13)12(17)15-7-9-2-1-5-18-9/h1-6H,7H2,(H,15,17)
InChIKeyHFQWXYKGODXWBJ-UHFFFAOYSA-N
XLogP3.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100786930
2-[(2-chloro-1,3-benzothiazole-5-carbonyl)-(furan-2-ylmethyl)amino]acetic acid
CID 100787869
2,3-diethyl-N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2302300
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide
CID 100788712
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide
CID 22575714
4-(6-chloro-1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 100579855
5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625309
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 133167285
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide (CID 100786923) is 2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2sc(Cl)nc2c1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is HFQWXYKGODXWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-13-16-10-6-8(3-4-11(10)19-13)12(17)15-7-9-2-1-5-18-9/h1-6H,7H2,(H,15,17).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide?
2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 100786923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).