N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide

C12H10N2OS2 — CID 1245402

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide
SMILESO=C(NC1=NCCS1)c1csc2ccccc12
InChIInChI=1S/C12H10N2OS2/c15-11(14-12-13-5-6-16-12)9-7-17-10-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,13,14,15)
InChIKeyYNYITLNFUPVIEB-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.73
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide (PubChem CID 1245402) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide
PubChem CID1245402
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide
SMILESO=C(NC1=NCCS1)c1csc2ccccc12
InChIInChI=1S/C12H10N2OS2/c15-11(14-12-13-5-6-16-12)9-7-17-10-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,13,14,15)
InChIKeyYNYITLNFUPVIEB-UHFFFAOYSA-N
XLogP2.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide (CID 1245402) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide is O=C(NC1=NCCS1)c1csc2ccccc12.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide?
The InChIKey is YNYITLNFUPVIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c15-11(14-12-13-5-6-16-12)9-7-17-10-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,13,14,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1245402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).