5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

C16H16N2OS2 — CID 4787220

IUPAC5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc3nc(C)sc3c2)cc1C
InChIInChI=1S/C16H16N2OS2/c1-4-13-9(2)7-15(21-13)16(19)18-11-5-6-12-14(8-11)20-10(3)17-12/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyUSRRFAIHKUWZGS-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.79
Rot. Bonds3

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

5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (PubChem CID 4787220) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
PubChem CID4787220
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc3nc(C)sc3c2)cc1C
InChIInChI=1S/C16H16N2OS2/c1-4-13-9(2)7-15(21-13)16(19)18-11-5-6-12-14(8-11)20-10(3)17-12/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyUSRRFAIHKUWZGS-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (CID 4787220) is 5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is CCc1sc(C(=O)Nc2ccc3nc(C)sc3c2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The InChIKey is USRRFAIHKUWZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-4-13-9(2)7-15(21-13)16(19)18-11-5-6-12-14(8-11)20-10(3)17-12/h5-8H,4H2,1-3H3,(H,18,19).
What are the key properties of 5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4787220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).