3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide

C19H13N3O2S — CID 35847762

IUPAC3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1
InChIInChI=1S/C19H13N3O2S/c20-10-12-2-1-3-15(8-12)18(23)22-19-21-16(11-25-19)13-4-5-17-14(9-13)6-7-24-17/h1-5,8-9,11H,6-7H2,(H,21,22,23)
InChIKeyIWECTJALIWHZRW-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.87
Rot. Bonds3

About 3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide

3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 35847762) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID35847762
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC Name3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1
InChIInChI=1S/C19H13N3O2S/c20-10-12-2-1-3-15(8-12)18(23)22-19-21-16(11-25-19)13-4-5-17-14(9-13)6-7-24-17/h1-5,8-9,11H,6-7H2,(H,21,22,23)
InChIKeyIWECTJALIWHZRW-UHFFFAOYSA-N
XLogP3.87
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 17394900
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
3-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162316
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9050215
4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38937157
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55776175
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 35848049
N-[4-[2-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 112806765
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 35847681

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide (CID 35847762) is 3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1.
What is the InChIKey of 3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is IWECTJALIWHZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c20-10-12-2-1-3-15(8-12)18(23)22-19-21-16(11-25-19)13-4-5-17-14(9-13)6-7-24-17/h1-5,8-9,11H,6-7H2,(H,21,22,23).
What are the key properties of 3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide?
3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 347.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 35847762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).