2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C23H22N4O3S2 — CID 24659917

IUPAC2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3sc4nc(C5CC5)nc(C)c4c3C)n2)c1
InChIInChI=1S/C23H22N4O3S2/c1-11-18-12(2)24-20(13-5-6-13)26-22(18)32-19(11)21(28)27-23-25-16(10-31-23)15-9-14(29-3)7-8-17(15)30-4/h7-10,13H,5-6H2,1-4H3,(H,25,27,28)
InChIKeyUZSAOMKFTQOZCL-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.58
Rot. Bonds6

About 2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24659917) has the molecular formula C23H22N4O3S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24659917
Molecular FormulaC23H22N4O3S2
Molecular Weight466.59 g/mol
Exact Mass466.11
IUPAC Name2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3sc4nc(C5CC5)nc(C)c4c3C)n2)c1
InChIInChI=1S/C23H22N4O3S2/c1-11-18-12(2)24-20(13-5-6-13)26-22(18)32-19(11)21(28)27-23-25-16(10-31-23)15-9-14(29-3)7-8-17(15)30-4/h7-10,13H,5-6H2,1-4H3,(H,25,27,28)
InChIKeyUZSAOMKFTQOZCL-UHFFFAOYSA-N
XLogP5.58
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 55537025
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
2-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 48982072
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 7924940
2-cyclopropyl-N-(2-methoxy-4-nitrophenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 39975723
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 119679962
2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43051867
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 24659917) is 2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)c3sc4nc(C5CC5)nc(C)c4c3C)n2)c1.
What is the InChIKey of 2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UZSAOMKFTQOZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S2/c1-11-18-12(2)24-20(13-5-6-13)26-22(18)32-19(11)21(28)27-23-25-16(10-31-23)15-9-14(29-3)7-8-17(15)30-4/h7-10,13H,5-6H2,1-4H3,(H,25,27,28).
What are the key properties of 2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24659917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).