4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine

C13H7N3S3 — CID 2486717

IUPAC4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine
SMILESc1ccc2sc(Sc3ncnc4sccc34)nc2c1
InChIInChI=1S/C13H7N3S3/c1-2-4-10-9(3-1)16-13(18-10)19-12-8-5-6-17-11(8)14-7-15-12/h1-7H
InChIKeyKGRTYCJRCSVREJ-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.45
Rot. Bonds2

About 4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine

4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine (PubChem CID 2486717) has the molecular formula C13H7N3S3 and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine
PubChem CID2486717
Molecular FormulaC13H7N3S3
Molecular Weight301.42 g/mol
Exact Mass300.98
IUPAC Name4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine
SMILESc1ccc2sc(Sc3ncnc4sccc34)nc2c1
InChIInChI=1S/C13H7N3S3/c1-2-4-10-9(3-1)16-13(18-10)19-12-8-5-6-17-11(8)14-7-15-12/h1-7H
InChIKeyKGRTYCJRCSVREJ-UHFFFAOYSA-N
XLogP4.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine 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

CID 145994861
CID 145994861
CID 9813424
CID 9813424
CID 9834769
CID 9834769
CID 44449257
CID 44449257
CID 44449565
CID 44449565
CID 118059092
CID 118059092
CID 2477685
CID 2477685
CID 710987
CID 710987
CID 2466324
CID 2466324
CID 2469161
CID 2469161
CID 932018
CID 932018
CID 2379682
CID 2379682

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine (CID 2486717) is 4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine is c1ccc2sc(Sc3ncnc4sccc34)nc2c1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine?
The InChIKey is KGRTYCJRCSVREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3S3/c1-2-4-10-9(3-1)16-13(18-10)19-12-8-5-6-17-11(8)14-7-15-12/h1-7H.
What are the key properties of 4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine?
4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine has a molecular weight of 301.42 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2486717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).