N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide

C13H10N2O2S — CID 122157547

IUPACN-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc3ccccc3o2)s1
InChIInChI=1S/C13H10N2O2S/c1-8-14-7-12(18-8)15-13(16)11-6-9-4-2-3-5-10(9)17-11/h2-7H,1H3,(H,15,16)
InChIKeyNDWNJBXHRQKXTL-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.45
Rot. Bonds2

About N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide

N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 122157547) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID122157547
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc3ccccc3o2)s1
InChIInChI=1S/C13H10N2O2S/c1-8-14-7-12(18-8)15-13(16)11-6-9-4-2-3-5-10(9)17-11/h2-7H,1H3,(H,15,16)
InChIKeyNDWNJBXHRQKXTL-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836271
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8718281
N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 6459983
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
CID 122356252
N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
CID 103756329
N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 17274047
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22775944
N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide
CID 70985465
N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 27148287

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide (CID 122157547) is N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide is Cc1ncc(NC(=O)c2cc3ccccc3o2)s1.
What is the InChIKey of N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is NDWNJBXHRQKXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-8-14-7-12(18-8)15-13(16)11-6-9-4-2-3-5-10(9)17-11/h2-7H,1H3,(H,15,16).
What are the key properties of N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide?
N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122157547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).