3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide

C21H20N4O2S2 — CID 26705957

IUPAC3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)n2)cc1C
InChIInChI=1S/C21H20N4O2S2/c1-10-6-12(3)14(7-11(10)2)15-8-28-21(23-15)24-18(26)17-13(4)16-19(29-17)22-9-25(5)20(16)27/h6-9H,1-5H3,(H,23,24,26)
InChIKeyNVABWKIJIUKVHD-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.60
Rot. Bonds3

About 3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26705957) has the molecular formula C21H20N4O2S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26705957
Molecular FormulaC21H20N4O2S2
Molecular Weight424.55 g/mol
Exact Mass424.10
IUPAC Name3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)n2)cc1C
InChIInChI=1S/C21H20N4O2S2/c1-10-6-12(3)14(7-11(10)2)15-8-28-21(23-15)24-18(26)17-13(4)16-19(29-17)22-9-25(5)20(16)27/h6-9H,1-5H3,(H,23,24,26)
InChIKeyNVABWKIJIUKVHD-UHFFFAOYSA-N
XLogP4.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 26705957) is 3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)n2)cc1C.
What is the InChIKey of 3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NVABWKIJIUKVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S2/c1-10-6-12(3)14(7-11(10)2)15-8-28-21(23-15)24-18(26)17-13(4)16-19(29-17)22-9-25(5)20(16)27/h6-9H,1-5H3,(H,23,24,26).
What are the key properties of 3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26705957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).