5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide

C23H20ClN3O3S — CID 58740314

IUPAC5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCO2)cc(-c2csc(-c3ccccc3Cl)n2)n1-c1ccco1
InChIInChI=1S/C23H20ClN3O3S/c1-14-16(22(28)26-20-8-4-10-29-20)12-19(27(14)21-9-5-11-30-21)18-13-31-23(25-18)15-6-2-3-7-17(15)24/h2-3,5-7,9,11-13,20H,4,8,10H2,1H3,(H,26,28)
InChIKeyAMLKGLLRFBSNGE-UHFFFAOYSA-N
MW453.95 g/mol
LogP5.69
Rot. Bonds5

About 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide

5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide (PubChem CID 58740314) has the molecular formula C23H20ClN3O3S and a molecular weight of 453.95 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide
PubChem CID58740314
Molecular FormulaC23H20ClN3O3S
Molecular Weight453.95 g/mol
Exact Mass453.09
IUPAC Name5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCO2)cc(-c2csc(-c3ccccc3Cl)n2)n1-c1ccco1
InChIInChI=1S/C23H20ClN3O3S/c1-14-16(22(28)26-20-8-4-10-29-20)12-19(27(14)21-9-5-11-30-21)18-13-31-23(25-18)15-6-2-3-7-17(15)24/h2-3,5-7,9,11-13,20H,4,8,10H2,1H3,(H,26,28)
InChIKeyAMLKGLLRFBSNGE-UHFFFAOYSA-N
XLogP5.69
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.95
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide (CID 58740314) is 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide is Cc1c(C(=O)NC2CCCO2)cc(-c2csc(-c3ccccc3Cl)n2)n1-c1ccco1.
What is the InChIKey of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide?
The InChIKey is AMLKGLLRFBSNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S/c1-14-16(22(28)26-20-8-4-10-29-20)12-19(27(14)21-9-5-11-30-21)18-13-31-23(25-18)15-6-2-3-7-17(15)24/h2-3,5-7,9,11-13,20H,4,8,10H2,1H3,(H,26,28).
What are the key properties of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide?
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide has a molecular weight of 453.95 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 58740314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).