3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole

C16H19N5O3S2 — CID 133408070

IUPAC3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1cc2c(N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)ncnc2s1
InChIInChI=1S/C16H19N5O3S2/c1-10-8-13-15(17-9-18-16(13)25-10)20-4-6-21(7-5-20)26(22,23)14-11(2)19-24-12(14)3/h8-9H,4-7H2,1-3H3
InChIKeyIXKSFVQYDXRBMU-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.12
Rot. Bonds3

About 3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole

3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 133408070) has the molecular formula C16H19N5O3S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
PubChem CID133408070
Molecular FormulaC16H19N5O3S2
Molecular Weight393.49 g/mol
Exact Mass393.09
IUPAC Name3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1cc2c(N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)ncnc2s1
InChIInChI=1S/C16H19N5O3S2/c1-10-8-13-15(17-9-18-16(13)25-10)20-4-6-21(7-5-20)26(22,23)14-11(2)19-24-12(14)3/h8-9H,4-7H2,1-3H3
InChIKeyIXKSFVQYDXRBMU-UHFFFAOYSA-N
XLogP2.12
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

3,5-dimethyl-4-[[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133409218
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407629
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407413
4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407485
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487136
2,2-dimethyl-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39072814
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 23763505

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole (CID 133408070) is 3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole is Cc1cc2c(N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)ncnc2s1.
What is the InChIKey of 3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is IXKSFVQYDXRBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S2/c1-10-8-13-15(17-9-18-16(13)25-10)20-4-6-21(7-5-20)26(22,23)14-11(2)19-24-12(14)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 393.49 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 133408070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).