3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C19H15N3O2S2 — CID 51287124

IUPAC3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2-c2cccs2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C19H15N3O2S2/c1-11-15-18(20-10-22(2)19(15)24)26-16(11)17(23)21-13-7-4-3-6-12(13)14-8-5-9-25-14/h3-10H,1-2H3,(H,21,23)
InChIKeyLDRJOSKQDWODPA-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.28
Rot. Bonds3

About 3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 51287124) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID51287124
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2-c2cccs2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C19H15N3O2S2/c1-11-15-18(20-10-22(2)19(15)24)26-16(11)17(23)21-13-7-4-3-6-12(13)14-8-5-9-25-14/h3-10H,1-2H3,(H,21,23)
InChIKeyLDRJOSKQDWODPA-UHFFFAOYSA-N
XLogP4.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55613008
S-[2-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56576564
3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 34758951
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26692384
3,5-dimethyl-4-oxo-N-(2-phenylpyrimidin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134009535
4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide
CID 24568109
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55778860
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 18106835
N-(3-chlorophenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23828047
N-(2-anilino-2-oxo-1-phenylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55779226
3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26691237
3,5-dimethyl-N-[3-(methylcarbamoyl)phenyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 18146247

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 51287124) is 3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2ccccc2-c2cccs2)sc2ncn(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LDRJOSKQDWODPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-11-15-18(20-10-22(2)19(15)24)26-16(11)17(23)21-13-7-4-3-6-12(13)14-8-5-9-25-14/h3-10H,1-2H3,(H,21,23).
What are the key properties of 3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 51287124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).