5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C14H11ClN2O2S — CID 7992606

IUPAC5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1csc(NC(=O)c2oc3ccc(Cl)cc3c2C)n1
InChIInChI=1S/C14H11ClN2O2S/c1-7-6-20-14(16-7)17-13(18)12-8(2)10-5-9(15)3-4-11(10)19-12/h3-6H,1-2H3,(H,16,17,18)
InChIKeyNJOJIPWNVJLERJ-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.41
Rot. Bonds2

About 5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 7992606) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID7992606
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1csc(NC(=O)c2oc3ccc(Cl)cc3c2C)n1
InChIInChI=1S/C14H11ClN2O2S/c1-7-6-20-14(16-7)17-13(18)12-8(2)10-5-9(15)3-4-11(10)19-12/h3-6H,1-2H3,(H,16,17,18)
InChIKeyNJOJIPWNVJLERJ-UHFFFAOYSA-N
XLogP4.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7770823
5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 16561597
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78809104
5-chloro-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 18864882
5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
CID 17013415
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 103763238
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 102534728
5-ethyl-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19241157
5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
CID 17013485
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 7992606) is 5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1csc(NC(=O)c2oc3ccc(Cl)cc3c2C)n1.
What is the InChIKey of 5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is NJOJIPWNVJLERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-7-6-20-14(16-7)17-13(18)12-8(2)10-5-9(15)3-4-11(10)19-12/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 306.77 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7992606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).