N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C17H14N4O3S2 — CID 24525066

IUPACN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1nc(-c2ccc(CNC(=O)Cn3cnc4sccc4c3=O)o2)cs1
InChIInChI=1S/C17H14N4O3S2/c1-10-20-13(8-26-10)14-3-2-11(24-14)6-18-15(22)7-21-9-19-16-12(17(21)23)4-5-25-16/h2-5,8-9H,6-7H2,1H3,(H,18,22)
InChIKeyNHQLFIIXEWNZOH-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.80
Rot. Bonds5

About N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 24525066) has the molecular formula C17H14N4O3S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID24525066
Molecular FormulaC17H14N4O3S2
Molecular Weight386.46 g/mol
Exact Mass386.05
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1nc(-c2ccc(CNC(=O)Cn3cnc4sccc4c3=O)o2)cs1
InChIInChI=1S/C17H14N4O3S2/c1-10-20-13(8-26-10)14-3-2-11(24-14)6-18-15(22)7-21-9-19-16-12(17(21)23)4-5-25-16/h2-5,8-9H,6-7H2,1H3,(H,18,22)
InChIKeyNHQLFIIXEWNZOH-UHFFFAOYSA-N
XLogP2.80
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 18138888
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 24525155
2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 24525079
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 42380301
2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 30854296
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
CID 24525146
ethyl 4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoate
CID 18195399
N-[(2,6-difluorophenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 75489789
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17468203
N-[(2-methoxyphenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27687387

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 24525066) is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1nc(-c2ccc(CNC(=O)Cn3cnc4sccc4c3=O)o2)cs1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is NHQLFIIXEWNZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S2/c1-10-20-13(8-26-10)14-3-2-11(24-14)6-18-15(22)7-21-9-19-16-12(17(21)23)4-5-25-16/h2-5,8-9H,6-7H2,1H3,(H,18,22).
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 386.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 24525066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).