N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

C18H20N2O2S — CID 24819350

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCc3nc(C)c(C)s3)oc2c1C
InChIInChI=1S/C18H20N2O2S/c1-9-6-7-14-11(3)17(22-16(14)10(9)2)18(21)19-8-15-20-12(4)13(5)23-15/h6-7H,8H2,1-5H3,(H,19,21)
InChIKeyJUIXRXTVJXVDNV-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.36
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 24819350) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID24819350
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCc3nc(C)c(C)s3)oc2c1C
InChIInChI=1S/C18H20N2O2S/c1-9-6-7-14-11(3)17(22-16(14)10(9)2)18(21)19-8-15-20-12(4)13(5)23-15/h6-7H,8H2,1-5H3,(H,19,21)
InChIKeyJUIXRXTVJXVDNV-UHFFFAOYSA-N
XLogP4.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide (CID 24819350) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCc3nc(C)c(C)s3)oc2c1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is JUIXRXTVJXVDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-9-6-7-14-11(3)17(22-16(14)10(9)2)18(21)19-8-15-20-12(4)13(5)23-15/h6-7H,8H2,1-5H3,(H,19,21).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 4.36, 3 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)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24819350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).