(2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H15ClN2O2S — CID 26693364

IUPAC(2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)[C@@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H15ClN2O2S/c17-10-5-6-12-9(7-10)8-13(21-12)15(20)19-16-18-11-3-1-2-4-14(11)22-16/h5-7,13H,1-4,8H2,(H,18,19,20)/t13-/m0/s1
InChIKeyWNFQAHSZYHQJQN-ZDUSSCGKSA-N
MW334.83 g/mol
LogP3.62
Rot. Bonds2

About (2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26693364) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is (2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26693364
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name(2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)[C@@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H15ClN2O2S/c17-10-5-6-12-9(7-10)8-13(21-12)15(20)19-16-18-11-3-1-2-4-14(11)22-16/h5-7,13H,1-4,8H2,(H,18,19,20)/t13-/m0/s1
InChIKeyWNFQAHSZYHQJQN-ZDUSSCGKSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090235
5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51295628
(2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006570
2-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 139582810
5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42893127
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
(2R)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9112839
(2R)-5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 35035471
6-chloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 47011351
(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26689499

Frequently Asked Questions

What is the IUPAC name of (2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26693364) is (2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1nc2c(s1)CCCC2)[C@@H]1Cc2cc(Cl)ccc2O1.
What is the InChIKey of (2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is WNFQAHSZYHQJQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c17-10-5-6-12-9(7-10)8-13(21-12)15(20)19-16-18-11-3-1-2-4-14(11)22-16/h5-7,13H,1-4,8H2,(H,18,19,20)/t13-/m0/s1.
What are the key properties of (2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 334.83 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26693364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).