ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

C19H23N5O3S — CID 35905767

IUPACethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(N3CCN(Cc4cc(C)no4)CC3)c2c1C
InChIInChI=1S/C19H23N5O3S/c1-4-26-19(25)16-13(3)15-17(20-11-21-18(15)28-16)24-7-5-23(6-8-24)10-14-9-12(2)22-27-14/h9,11H,4-8,10H2,1-3H3
InChIKeyHGPVDHLKHXCZJC-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.80
Rot. Bonds5

About ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 35905767) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID35905767
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Nameethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(N3CCN(Cc4cc(C)no4)CC3)c2c1C
InChIInChI=1S/C19H23N5O3S/c1-4-26-19(25)16-13(3)15-17(20-11-21-18(15)28-16)24-7-5-23(6-8-24)10-14-9-12(2)22-27-14/h9,11H,4-8,10H2,1-3H3
InChIKeyHGPVDHLKHXCZJC-UHFFFAOYSA-N
XLogP2.80
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate (CID 35905767) is ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(N3CCN(Cc4cc(C)no4)CC3)c2c1C.
What is the InChIKey of ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is HGPVDHLKHXCZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-4-26-19(25)16-13(3)15-17(20-11-21-18(15)28-16)24-7-5-23(6-8-24)10-14-9-12(2)22-27-14/h9,11H,4-8,10H2,1-3H3.
What are the key properties of ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 401.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 35905767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).