N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

C22H19N5O4S — CID 71788289

IUPACN-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)CCn1cnc3ccccc3c1=O)CC2)c1ccoc1
InChIInChI=1S/C22H19N5O4S/c28-19(6-9-27-13-23-16-4-2-1-3-15(16)21(27)30)26-8-5-17-18(11-26)32-22(24-17)25-20(29)14-7-10-31-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,24,25,29)
InChIKeyJFESOYZPZJRNHA-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.67
Rot. Bonds5

About N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 71788289) has the molecular formula C22H19N5O4S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
PubChem CID71788289
Molecular FormulaC22H19N5O4S
Molecular Weight449.49 g/mol
Exact Mass449.12
IUPAC NameN-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)CCn1cnc3ccccc3c1=O)CC2)c1ccoc1
InChIInChI=1S/C22H19N5O4S/c28-19(6-9-27-13-23-16-4-2-1-3-15(16)21(27)30)26-8-5-17-18(11-26)32-22(24-17)25-20(29)14-7-10-31-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,24,25,29)
InChIKeyJFESOYZPZJRNHA-UHFFFAOYSA-N
XLogP2.67
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The IUPAC name of N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 71788289) is N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)CCn1cnc3ccccc3c1=O)CC2)c1ccoc1.
What is the InChIKey of N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The InChIKey is JFESOYZPZJRNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4S/c28-19(6-9-27-13-23-16-4-2-1-3-15(16)21(27)30)26-8-5-17-18(11-26)32-22(24-17)25-20(29)14-7-10-31-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,24,25,29).
What are the key properties of N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-oxoquinazolin-3-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 71788289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).