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

C14H11ClN2O2S — CID 16550500

IUPAC7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1cnc(NC(=O)c2oc3c(Cl)cccc3c2C)s1
InChIInChI=1S/C14H11ClN2O2S/c1-7-6-16-14(20-7)17-13(18)11-8(2)9-4-3-5-10(15)12(9)19-11/h3-6H,1-2H3,(H,16,17,18)
InChIKeyFZKIDMKXNMHPPU-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.41
Rot. Bonds2

About 7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 16550500) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID16550500
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1cnc(NC(=O)c2oc3c(Cl)cccc3c2C)s1
InChIInChI=1S/C14H11ClN2O2S/c1-7-6-16-14(20-7)17-13(18)11-8(2)9-4-3-5-10(15)12(9)19-11/h3-6H,1-2H3,(H,16,17,18)
InChIKeyFZKIDMKXNMHPPU-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-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8919323
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
7-chloro-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46439366
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 2524131
7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide
CID 8006377
7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 7921774
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
N-[2-(1,3-benzothiazol-2-yl)phenyl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16549789
N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119627028
7-chloro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 87041238

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 16550500) is 7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1cnc(NC(=O)c2oc3c(Cl)cccc3c2C)s1.
What is the InChIKey of 7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is FZKIDMKXNMHPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-7-6-16-14(20-7)17-13(18)11-8(2)9-4-3-5-10(15)12(9)19-11/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-(5-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 7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16550500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).