4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide

C16H16N2O2S2 — CID 24564369

IUPAC4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2nc3ccc(OC)cc3s2)sc1C
InChIInChI=1S/C16H16N2O2S2/c1-4-10-7-14(21-9(10)2)15(19)18-16-17-12-6-5-11(20-3)8-13(12)22-16/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyPLZIIPOVYKYSKJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.49
Rot. Bonds4

About 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide

4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 24564369) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID24564369
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2nc3ccc(OC)cc3s2)sc1C
InChIInChI=1S/C16H16N2O2S2/c1-4-10-7-14(21-9(10)2)15(19)18-16-17-12-6-5-11(20-3)8-13(12)22-16/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyPLZIIPOVYKYSKJ-UHFFFAOYSA-N
XLogP4.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 24600021
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 18126513
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
5-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-4-carboxamide
CID 112759271
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
CID 115603712
N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 86857903
2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55684953
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide (CID 24564369) is 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)Nc2nc3ccc(OC)cc3s2)sc1C.
What is the InChIKey of 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is PLZIIPOVYKYSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-4-10-7-14(21-9(10)2)15(19)18-16-17-12-6-5-11(20-3)8-13(12)22-16/h5-8H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide?
4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 24564369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).