2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate

C15H13N4O4S2- — CID 2090070

IUPAC2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C(=O)[O-])sc2n1
InChIInChI=1S/C15H14N4O4S2/c1-6-4-9(19-23-6)18-10(20)5-24-13-11-7(2)12(15(21)22)25-14(11)17-8(3)16-13/h4H,5H2,1-3H3,(H,21,22)(H,18,19,20)/p-1
InChIKeyWMPDLQILAQHJDV-UHFFFAOYSA-M
MW377.43 g/mol
LogP1.70
Rot. Bonds5

About 2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate

2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 2090070) has the molecular formula C15H13N4O4S2- and a molecular weight of 377.43 g/mol. Its IUPAC name is 2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID2090070
Molecular FormulaC15H13N4O4S2-
Molecular Weight377.43 g/mol
Exact Mass377.04
IUPAC Name2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C(=O)[O-])sc2n1
InChIInChI=1S/C15H14N4O4S2/c1-6-4-9(19-23-6)18-10(20)5-24-13-11-7(2)12(15(21)22)25-14(11)17-8(3)16-13/h4H,5H2,1-3H3,(H,21,22)(H,18,19,20)/p-1
InChIKeyWMPDLQILAQHJDV-UHFFFAOYSA-M
XLogP1.70
TPSA121.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 645193
2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 655538
2-[(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3200205
N-(4,5-dimethyl-2-nitrophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362771
N-(3-acetylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 4822103
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799430
N-(2-fluorophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1076016
N-(2-iodophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 41213688
methyl 4-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2403813
N'-acetyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetohydrazide
CID 7680254
N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362656
N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362604

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of 2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate (CID 2090070) is 2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for 2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for 2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate is Cc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C(=O)[O-])sc2n1.
What is the InChIKey of 2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is WMPDLQILAQHJDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N4O4S2/c1-6-4-9(19-23-6)18-10(20)5-24-13-11-7(2)12(15(21)22)25-14(11)17-8(3)16-13/h4H,5H2,1-3H3,(H,21,22)(H,18,19,20)/p-1.
What are the key properties of 2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate?
2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 377.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 2090070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).