N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C14H14N4O3S — CID 51087403

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1nc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)sc1C
InChIInChI=1S/C14H14N4O3S/c1-4-8-7(3)22-14(17-8)18-12(20)9-6(2)21-13-10(9)11(19)15-5-16-13/h5H,4H2,1-3H3,(H,15,16,19)(H,17,18,20)
InChIKeyIXUOSWFZOOGDKS-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.40
Rot. Bonds3

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 51087403) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID51087403
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1nc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)sc1C
InChIInChI=1S/C14H14N4O3S/c1-4-8-7(3)22-14(17-8)18-12(20)9-6(2)21-13-10(9)11(19)15-5-16-13/h5H,4H2,1-3H3,(H,15,16,19)(H,17,18,20)
InChIKeyIXUOSWFZOOGDKS-UHFFFAOYSA-N
XLogP2.40
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 51087403) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is CCc1nc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is IXUOSWFZOOGDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-4-8-7(3)22-14(17-8)18-12(20)9-6(2)21-13-10(9)11(19)15-5-16-13/h5H,4H2,1-3H3,(H,15,16,19)(H,17,18,20).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 51087403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).