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

C14H12N2O2S — CID 86836271

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ncc(CNC(=O)c2cc3ccccc3o2)s1
InChIInChI=1S/C14H12N2O2S/c1-9-15-7-11(19-9)8-16-14(17)13-6-10-4-2-3-5-12(10)18-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyFUMPJTOPAVNVSG-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.13
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 86836271) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID86836271
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ncc(CNC(=O)c2cc3ccccc3o2)s1
InChIInChI=1S/C14H12N2O2S/c1-9-15-7-11(19-9)8-16-14(17)13-6-10-4-2-3-5-12(10)18-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyFUMPJTOPAVNVSG-UHFFFAOYSA-N
XLogP3.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
CID 122157547
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
CID 86825646
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 146084461
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
2-hydrazinyl-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 114220560
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86825678
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (CID 86836271) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide is Cc1ncc(CNC(=O)c2cc3ccccc3o2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is FUMPJTOPAVNVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-15-7-11(19-9)8-16-14(17)13-6-10-4-2-3-5-12(10)18-13/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 3.13, 3 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)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86836271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).