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

C19H22N2O3S — CID 70770456

IUPAC6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N(C)Cc3csc(C(C)C)n3)oc2c1
InChIInChI=1S/C19H22N2O3S/c1-11(2)18-20-13(10-25-18)9-21(4)19(22)17-12(3)15-7-6-14(23-5)8-16(15)24-17/h6-8,10-11H,9H2,1-5H3
InChIKeyWAGNARGQQRMDIU-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.60
Rot. Bonds5

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

6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 70770456) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID70770456
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N(C)Cc3csc(C(C)C)n3)oc2c1
InChIInChI=1S/C19H22N2O3S/c1-11(2)18-20-13(10-25-18)9-21(4)19(22)17-12(3)15-7-6-14(23-5)8-16(15)24-17/h6-8,10-11H,9H2,1-5H3
InChIKeyWAGNARGQQRMDIU-UHFFFAOYSA-N
XLogP4.60
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-5-propyl-N-(2-thiazolylmethyl)-2-benzofurancarboxamide
CID 24793046
Ethyl 2-(2-{[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylate
CID 24792042
3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24793813
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 46009261
(1-Benzofuran-2-yl)(4-{[4-(p-fluorophenyl)-1,3-thiazol-2-yl]methyl}-1-piperazinyl)methanone
CID 29698194
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 70737562
1-Benzofuran-2-yl-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29697839
(1-Benzofuran-2-yl)(4-{[4-(p-methoxyphenyl)-1,3-thiazol-2-yl]methyl}-1-piperazinyl)methanone
CID 29698559
(1-Benzofuran-2-yl){4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}methanone
CID 30860430
Benzofuran-2-yl(4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazin-1-yl)methanone
CID 30860561
N-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 70781335
N-((1-(benzofuran-2-carbonyl)piperidin-4-yl)methyl)-2-phenylthiazole-4-carboxamide
CID 91624555

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide (CID 70770456) is 6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide is COc1ccc2c(C)c(C(=O)N(C)Cc3csc(C(C)C)n3)oc2c1.
What is the InChIKey of 6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is WAGNARGQQRMDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-11(2)18-20-13(10-25-18)9-21(4)19(22)17-12(3)15-7-6-14(23-5)8-16(15)24-17/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70770456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).