N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide

C17H12N2O2S2 — CID 121019236

IUPACN-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccsc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C17H12N2O2S2/c20-16(17-19-13-3-1-2-4-15(13)23-17)18-9-12-5-6-14(21-12)11-7-8-22-10-11/h1-8,10H,9H2,(H,18,20)
InChIKeyUAICPTDAXLARQV-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.55
Rot. Bonds4

About N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide

N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 121019236) has the molecular formula C17H12N2O2S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID121019236
Molecular FormulaC17H12N2O2S2
Molecular Weight340.43 g/mol
Exact Mass340.03
IUPAC NameN-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccsc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C17H12N2O2S2/c20-16(17-19-13-3-1-2-4-15(13)23-17)18-9-12-5-6-14(21-12)11-7-8-22-10-11/h1-8,10H,9H2,(H,18,20)
InChIKeyUAICPTDAXLARQV-UHFFFAOYSA-N
XLogP4.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122162281
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 90496484
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide
CID 126854811
5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide
CID 55489815
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46455964
1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea
CID 121019277
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18274142
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide
CID 55490227
1,3-benzothiazol-2-yl(thiophen-3-yl)methanone
CID 102192370
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 24586235
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide
CID 24586252

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide (CID 121019236) is N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide is O=C(NCc1ccc(-c2ccsc2)o1)c1nc2ccccc2s1.
What is the InChIKey of N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is UAICPTDAXLARQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S2/c20-16(17-19-13-3-1-2-4-15(13)23-17)18-9-12-5-6-14(21-12)11-7-8-22-10-11/h1-8,10H,9H2,(H,18,20).
What are the key properties of N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide?
N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 121019236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).