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

C14H12N2OS2 — CID 1225717

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide
SMILESCc1nc(NC(=O)c2csc3ccccc23)sc1C
InChIInChI=1S/C14H12N2OS2/c1-8-9(2)19-14(15-8)16-13(17)11-7-18-12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H,15,16,17)
InChIKeySGORBAQMQITZST-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.23
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide (PubChem CID 1225717) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide
PubChem CID1225717
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide
SMILESCc1nc(NC(=O)c2csc3ccccc23)sc1C
InChIInChI=1S/C14H12N2OS2/c1-8-9(2)19-14(15-8)16-13(17)11-7-18-12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H,15,16,17)
InChIKeySGORBAQMQITZST-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide (CID 1225717) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide is Cc1nc(NC(=O)c2csc3ccccc23)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide?
The InChIKey is SGORBAQMQITZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-8-9(2)19-14(15-8)16-13(17)11-7-18-12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1225717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).