N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

C19H17N3O3S — CID 139330592

IUPACN-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
SMILESCOc1cccc(-c2cnc(NC(=O)C3CCC(=O)c4cccn43)s2)c1
InChIInChI=1S/C19H17N3O3S/c1-25-13-5-2-4-12(10-13)17-11-20-19(26-17)21-18(24)15-7-8-16(23)14-6-3-9-22(14)15/h2-6,9-11,15H,7-8H2,1H3,(H,20,21,24)
InChIKeyJZNXDPIDYFYIPY-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.78
Rot. Bonds4

About N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (PubChem CID 139330592) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
PubChem CID139330592
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
SMILESCOc1cccc(-c2cnc(NC(=O)C3CCC(=O)c4cccn43)s2)c1
InChIInChI=1S/C19H17N3O3S/c1-25-13-5-2-4-12(10-13)17-11-20-19(26-17)21-18(24)15-7-8-16(23)14-6-3-9-22(14)15/h2-6,9-11,15H,7-8H2,1H3,(H,20,21,24)
InChIKeyJZNXDPIDYFYIPY-UHFFFAOYSA-N
XLogP3.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The IUPAC name of N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (CID 139330592) is N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is COc1cccc(-c2cnc(NC(=O)C3CCC(=O)c4cccn43)s2)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The InChIKey is JZNXDPIDYFYIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-13-5-2-4-12(10-13)17-11-20-19(26-17)21-18(24)15-7-8-16(23)14-6-3-9-22(14)15/h2-6,9-11,15H,7-8H2,1H3,(H,20,21,24).
What are the key properties of N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is sourced from PubChem (CID 139330592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).