4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

C14H15N3OS2 — CID 704147

IUPAC4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C14H15N3OS2/c1-7-10(4)20-14-12(7)13(15-6-16-14)19-5-11-8(2)17-18-9(11)3/h6H,5H2,1-4H3
InChIKeyCQTOMTCOYNJBQP-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.21
Rot. Bonds3

About 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 704147) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID704147
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C14H15N3OS2/c1-7-10(4)20-14-12(7)13(15-6-16-14)19-5-11-8(2)17-18-9(11)3/h6H,5H2,1-4H3
InChIKeyCQTOMTCOYNJBQP-UHFFFAOYSA-N
XLogP4.21
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine
CID 829569
4-{[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 3577161
4-(((5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)methyl)-3,5-dimethylisoxazole
CID 1278629
12-{[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene
CID 727608
4-(((5-(3,4-Dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl)thio)methyl)-3,5-dimethylisoxazole
CID 1277323
3,5-Dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
CID 2372536
3-(7-Thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)-1,2-oxazole
CID 2573698
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide
CID 72899612
5-(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydroisoxazolo[4,3-c]pyridine
CID 129609555
(3,5-Dimethyl-4-isoxazolyl)methyl 2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide
CID 705144
4-[[6-(4-Fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 7468829
3-[[6-(4-Fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 7630828

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (CID 704147) is 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CSc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is CQTOMTCOYNJBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-7-10(4)20-14-12(7)13(15-6-16-14)19-5-11-8(2)17-18-9(11)3/h6H,5H2,1-4H3.
What are the key properties of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 305.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 704147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).