N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide

C14H12N2OS2 — CID 47365942

IUPACN-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H12N2OS2/c1-2-9-7-8-18-12(9)13(17)16-14-15-10-5-3-4-6-11(10)19-14/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyMQBLPALAUNLCSM-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.17
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide

N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide (PubChem CID 47365942) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide
PubChem CID47365942
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H12N2OS2/c1-2-9-7-8-18-12(9)13(17)16-14-15-10-5-3-4-6-11(10)19-14/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyMQBLPALAUNLCSM-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43952349
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807877
1-(1,3-benzothiazol-2-yl)-3-methylurea;molecular hydrogen
CID 143832534
1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea
CID 46267438
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver
CID 87950103
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylthiophene-2-carboxamide
CID 18274982

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide (CID 47365942) is N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide?
The InChIKey is MQBLPALAUNLCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-2-9-7-8-18-12(9)13(17)16-14-15-10-5-3-4-6-11(10)19-14/h3-8H,2H2,1H3,(H,15,16,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 47365942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).