N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C17H13N5O4S — CID 47036925

IUPACN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccco4)cs3)nc2n(C)c1=O
InChIInChI=1S/C17H13N5O4S/c1-21-13-9(15(24)22(2)17(21)25)5-6-10(18-13)14(23)20-16-19-11(8-27-16)12-4-3-7-26-12/h3-8H,1-2H3,(H,19,20,23)
InChIKeyYSEPTCLUGKIHDX-UHFFFAOYSA-N
MW383.39 g/mol
LogP1.60
Rot. Bonds3

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 47036925) has the molecular formula C17H13N5O4S and a molecular weight of 383.39 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID47036925
Molecular FormulaC17H13N5O4S
Molecular Weight383.39 g/mol
Exact Mass383.07
IUPAC NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccco4)cs3)nc2n(C)c1=O
InChIInChI=1S/C17H13N5O4S/c1-21-13-9(15(24)22(2)17(21)25)5-6-10(18-13)14(23)20-16-19-11(8-27-16)12-4-3-7-26-12/h3-8H,1-2H3,(H,19,20,23)
InChIKeyYSEPTCLUGKIHDX-UHFFFAOYSA-N
XLogP1.60
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 47036925) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccco4)cs3)nc2n(C)c1=O.
What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is YSEPTCLUGKIHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4S/c1-21-13-9(15(24)22(2)17(21)25)5-6-10(18-13)14(23)20-16-19-11(8-27-16)12-4-3-7-26-12/h3-8H,1-2H3,(H,19,20,23).
What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 383.39 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 47036925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).