3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide

C17H18N2O2S — CID 86836541

IUPAC3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ncc(CNC(=O)c2oc3c(C)ccc(C)c3c2C)s1
InChIInChI=1S/C17H18N2O2S/c1-9-5-6-10(2)15-14(9)11(3)16(21-15)17(20)19-8-13-7-18-12(4)22-13/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyFEBBUKSAGTXJNY-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.05
Rot. Bonds3

About 3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide

3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 86836541) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID86836541
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ncc(CNC(=O)c2oc3c(C)ccc(C)c3c2C)s1
InChIInChI=1S/C17H18N2O2S/c1-9-5-6-10(2)15-14(9)11(3)16(21-15)17(20)19-8-13-7-18-12(4)22-13/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyFEBBUKSAGTXJNY-UHFFFAOYSA-N
XLogP4.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
CID 86825646
3,4,7-trimethyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 122154945
N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119643855
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 39855027
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
methyl (2S)-2-hydroxy-3-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 97252425
3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122158091
3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 119514675
2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 39855034
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86825704

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (CID 86836541) is 3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide is Cc1ncc(CNC(=O)c2oc3c(C)ccc(C)c3c2C)s1.
What is the InChIKey of 3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is FEBBUKSAGTXJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-9-5-6-10(2)15-14(9)11(3)16(21-15)17(20)19-8-13-7-18-12(4)22-13/h5-7H,8H2,1-4H3,(H,19,20).
What are the key properties of 3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86836541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).