4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine

C10H7N3S3 — CID 9112417

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCc1csc(Sc2ncnc3sccc23)n1
InChIInChI=1S/C10H7N3S3/c1-6-4-15-10(13-6)16-9-7-2-3-14-8(7)11-5-12-9/h2-5H,1H3
InChIKeyLPSVDQDRLCRVLG-UHFFFAOYSA-N
MW265.39 g/mol
LogP3.61
Rot. Bonds2

About 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine

4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 9112417) has the molecular formula C10H7N3S3 and a molecular weight of 265.39 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
PubChem CID9112417
Molecular FormulaC10H7N3S3
Molecular Weight265.39 g/mol
Exact Mass264.98
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCc1csc(Sc2ncnc3sccc23)n1
InChIInChI=1S/C10H7N3S3/c1-6-4-15-10(13-6)16-9-7-2-3-14-8(7)11-5-12-9/h2-5H,1H3
InChIKeyLPSVDQDRLCRVLG-UHFFFAOYSA-N
XLogP3.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine (CID 9112417) is 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine is Cc1csc(Sc2ncnc3sccc23)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is LPSVDQDRLCRVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S3/c1-6-4-15-10(13-6)16-9-7-2-3-14-8(7)11-5-12-9/h2-5H,1H3.
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 265.39 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 9112417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).