2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide

C15H13ClN2O3S — CID 142495562

IUPAC2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide
SMILESCOCc1cnc(NC(=O)Cc2coc3cc(Cl)ccc23)s1
InChIInChI=1S/C15H13ClN2O3S/c1-20-8-11-6-17-15(22-11)18-14(19)4-9-7-21-13-5-10(16)2-3-12(9)13/h2-3,5-7H,4,8H2,1H3,(H,17,18,19)
InChIKeyBFCDOLIVCKCEQP-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.87
Rot. Bonds5

About 2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide

2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 142495562) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID142495562
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide
SMILESCOCc1cnc(NC(=O)Cc2coc3cc(Cl)ccc23)s1
InChIInChI=1S/C15H13ClN2O3S/c1-20-8-11-6-17-15(22-11)18-14(19)4-9-7-21-13-5-10(16)2-3-12(9)13/h2-3,5-7H,4,8H2,1H3,(H,17,18,19)
InChIKeyBFCDOLIVCKCEQP-UHFFFAOYSA-N
XLogP3.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 137363295
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7534803
2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18860950
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2501755
1-[5-(methoxymethyl)-1,3-thiazol-2-yl]-3-methylurea
CID 130645718
2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 18860954
ethyl 2-(6-chloro-1-benzofuran-3-yl)acetate
CID 12936152
2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969
2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 137362895
N-[(2,4-dichlorophenyl)methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2707238
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide (CID 142495562) is 2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide is COCc1cnc(NC(=O)Cc2coc3cc(Cl)ccc23)s1.
What is the InChIKey of 2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is BFCDOLIVCKCEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-20-8-11-6-17-15(22-11)18-14(19)4-9-7-21-13-5-10(16)2-3-12(9)13/h2-3,5-7H,4,8H2,1H3,(H,17,18,19).
What are the key properties of 2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide?
2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 336.80 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142495562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).