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

C14H12N2O2S — CID 734562

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc(NC(=O)c2cc3ccccc3o2)sc1C
InChIInChI=1S/C14H12N2O2S/c1-8-9(2)19-14(15-8)16-13(17)12-7-10-5-3-4-6-11(10)18-12/h3-7H,1-2H3,(H,15,16,17)
InChIKeyOUQPATPKASVHOW-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.76
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 734562) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID734562
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc(NC(=O)c2cc3ccccc3o2)sc1C
InChIInChI=1S/C14H12N2O2S/c1-8-9(2)19-14(15-8)16-13(17)12-7-10-5-3-4-6-11(10)18-12/h3-7H,1-2H3,(H,15,16,17)
InChIKeyOUQPATPKASVHOW-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Benzofuran-2-yl)-1,3-thiazol-2-amine
CID 2303676
Trans-N-(4-(2-(((S)-2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)(propyl)amino)ethyl)cyclohexyl)benzofuran-2-carboxamide
CID 25131138
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 694812
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide
CID 4653584
5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7770827
5-fluoro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9508654
N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
A1/A3 AR antagonist 2
CID 162673862
N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 774920
Ethyl 2-(benzofuran-2-carboxamido)thiazole-4-carboxylate
CID 2308234
Methyl 4-methyl-2-{[(3-methyl-1-benzofuran-2-yl)carbonyl]amino}-1,3-thiazole-5-carboxylate
CID 659858
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 903361

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 734562) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1nc(NC(=O)c2cc3ccccc3o2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is OUQPATPKASVHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-9(2)19-14(15-8)16-13(17)12-7-10-5-3-4-6-11(10)18-12/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 3.76, 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-benzofuran-2-carboxamide is sourced from PubChem (CID 734562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).