N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C17H20N2O2S — CID 2114647

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NC3=NCCS3)c2cc1C(C)C
InChIInChI=1S/C17H20N2O2S/c1-10(2)13-8-14-12(9-21-15(14)6-11(13)3)7-16(20)19-17-18-4-5-22-17/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20)
InChIKeyBRWWRJWXDGKBFF-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.63
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 2114647) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
PubChem CID2114647
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NC3=NCCS3)c2cc1C(C)C
InChIInChI=1S/C17H20N2O2S/c1-10(2)13-8-14-12(9-21-15(14)6-11(13)3)7-16(20)19-17-18-4-5-22-17/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20)
InChIKeyBRWWRJWXDGKBFF-UHFFFAOYSA-N
XLogP3.63
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 2114647) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)NC3=NCCS3)c2cc1C(C)C.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The InChIKey is BRWWRJWXDGKBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-10(2)13-8-14-12(9-21-15(14)6-11(13)3)7-16(20)19-17-18-4-5-22-17/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2114647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).