N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

C19H16ClN3O3S — CID 166234895

IUPACN-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
SMILESCc1csc(Oc2ccc(NC(=O)C3CCC(=O)c4cccn43)cc2Cl)n1
InChIInChI=1S/C19H16ClN3O3S/c1-11-10-27-19(21-11)26-17-7-4-12(9-13(17)20)22-18(25)15-5-6-16(24)14-3-2-8-23(14)15/h2-4,7-10,15H,5-6H2,1H3,(H,22,25)
InChIKeyHRDUNFGFQZTNFO-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.86
Rot. Bonds4

About N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (PubChem CID 166234895) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
PubChem CID166234895
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
SMILESCc1csc(Oc2ccc(NC(=O)C3CCC(=O)c4cccn43)cc2Cl)n1
InChIInChI=1S/C19H16ClN3O3S/c1-11-10-27-19(21-11)26-17-7-4-12(9-13(17)20)22-18(25)15-5-6-16(24)14-3-2-8-23(14)15/h2-4,7-10,15H,5-6H2,1H3,(H,22,25)
InChIKeyHRDUNFGFQZTNFO-UHFFFAOYSA-N
XLogP4.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The IUPAC name of N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (CID 166234895) is N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is Cc1csc(Oc2ccc(NC(=O)C3CCC(=O)c4cccn43)cc2Cl)n1.
What is the InChIKey of N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The InChIKey is HRDUNFGFQZTNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-11-10-27-19(21-11)26-17-7-4-12(9-13(17)20)22-18(25)15-5-6-16(24)14-3-2-8-23(14)15/h2-4,7-10,15H,5-6H2,1H3,(H,22,25).
What are the key properties of N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide has a molecular weight of 401.88 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is sourced from PubChem (CID 166234895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).