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

C18H17N5O5S — CID 71788288

IUPACN-[5-[3-(2,4-dioxopyrimidin-1-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)CCn1ccc(=O)[nH]c1=O)CC2)c1ccoc1
InChIInChI=1S/C18H17N5O5S/c24-14-2-6-22(18(27)20-14)7-3-15(25)23-5-1-12-13(9-23)29-17(19-12)21-16(26)11-4-8-28-10-11/h2,4,6,8,10H,1,3,5,7,9H2,(H,19,21,26)(H,20,24,27)
InChIKeyOCQZCNBFVARHSK-UHFFFAOYSA-N
MW415.43 g/mol
LogP0.81
Rot. Bonds5

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

N-[5-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 71788288) has the molecular formula C18H17N5O5S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[5-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
PubChem CID71788288
Molecular FormulaC18H17N5O5S
Molecular Weight415.43 g/mol
Exact Mass415.10
IUPAC NameN-[5-[3-(2,4-dioxopyrimidin-1-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)CCn1ccc(=O)[nH]c1=O)CC2)c1ccoc1
InChIInChI=1S/C18H17N5O5S/c24-14-2-6-22(18(27)20-14)7-3-15(25)23-5-1-12-13(9-23)29-17(19-12)21-16(26)11-4-8-28-10-11/h2,4,6,8,10H,1,3,5,7,9H2,(H,19,21,26)(H,20,24,27)
InChIKeyOCQZCNBFVARHSK-UHFFFAOYSA-N
XLogP0.81
TPSA130.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[3-(2,4-dioxopyrimidin-1-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-(2,4-dioxopyrimidin-1-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-(2,4-dioxopyrimidin-1-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 71788288) is N-[5-[3-(2,4-dioxopyrimidin-1-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-(2,4-dioxopyrimidin-1-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-(2,4-dioxopyrimidin-1-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)CCn1ccc(=O)[nH]c1=O)CC2)c1ccoc1.
What is the InChIKey of N-[5-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The InChIKey is OCQZCNBFVARHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5S/c24-14-2-6-22(18(27)20-14)7-3-15(25)23-5-1-12-13(9-23)29-17(19-12)21-16(26)11-4-8-28-10-11/h2,4,6,8,10H,1,3,5,7,9H2,(H,19,21,26)(H,20,24,27).
What are the key properties of N-[5-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
N-[5-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 71788288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).