5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine

C15H12N6S2 — CID 703850

IUPAC5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Sc3nnnn3-c3ccccc3)c2c1C
InChIInChI=1S/C15H12N6S2/c1-9-10(2)22-13-12(9)14(17-8-16-13)23-15-18-19-20-21(15)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyDKWPGMHILKKDMR-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.44
Rot. Bonds3

About 5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine

5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (PubChem CID 703850) has the molecular formula C15H12N6S2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
PubChem CID703850
Molecular FormulaC15H12N6S2
Molecular Weight340.44 g/mol
Exact Mass340.06
IUPAC Name5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Sc3nnnn3-c3ccccc3)c2c1C
InChIInChI=1S/C15H12N6S2/c1-9-10(2)22-13-12(9)14(17-8-16-13)23-15-18-19-20-21(15)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyDKWPGMHILKKDMR-UHFFFAOYSA-N
XLogP3.44
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-5-({5-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1H-1,2,3,4-tetrazole
CID 2432214
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987
4-(1,3-Benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine
CID 2486717
5-(4-Aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 6539968
4-(Benzotriazol-1-yl)thieno[2,3-d]pyrimidine
CID 2469161
9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
CID 360857
9-Phenyltetrazolo[1,5-c]thieno[3,2-e]pyrimidine
CID 693917
8,9,10,11-Tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-c]pyrimidine
CID 696849
4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 934186
2-Ethyl-4-(1-phenyltetrazol-5-yl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 982918
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
5-(6-Ethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-[1,3,4]thiadiazol-2-ylamine
CID 2807642

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (CID 703850) is 5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(Sc3nnnn3-c3ccccc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is DKWPGMHILKKDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S2/c1-9-10(2)22-13-12(9)14(17-8-16-13)23-15-18-19-20-21(15)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 340.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 703850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).