N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

C18H18N2O2S — CID 95749640

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCc3csc(C4CC4)n3)oc2c1
InChIInChI=1S/C18H18N2O2S/c1-10-3-6-14-11(2)16(22-15(14)7-10)17(21)19-8-13-9-23-18(20-13)12-4-5-12/h3,6-7,9,12H,4-5,8H2,1-2H3,(H,19,21)
InChIKeyZKAMXXCLHYTVJI-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.31
Rot. Bonds4

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 95749640) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
PubChem CID95749640
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCc3csc(C4CC4)n3)oc2c1
InChIInChI=1S/C18H18N2O2S/c1-10-3-6-14-11(2)16(22-15(14)7-10)17(21)19-8-13-9-23-18(20-13)12-4-5-12/h3,6-7,9,12H,4-5,8H2,1-2H3,(H,19,21)
InChIKeyZKAMXXCLHYTVJI-UHFFFAOYSA-N
XLogP4.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-methyl-2-(1,2,4-triazol-4-yl)benzamide
CID 146091331
3,6-dimethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 97121047
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324619
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 95324736
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 70752728
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 95749522
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 95749634
2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 95749571
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110727994
3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 70711712

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (CID 95749640) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCc3csc(C4CC4)n3)oc2c1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is ZKAMXXCLHYTVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-10-3-6-14-11(2)16(22-15(14)7-10)17(21)19-8-13-9-23-18(20-13)12-4-5-12/h3,6-7,9,12H,4-5,8H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95749640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).