4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine

C15H12N6S2 — CID 133408075

IUPAC4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Sc3nnnn3Cc3ccccc3)ncnc2s1
InChIInChI=1S/C15H12N6S2/c1-10-7-12-13(22-10)16-9-17-14(12)23-15-18-19-20-21(15)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyKQFVZRCBZDJTKE-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.19
Rot. Bonds4

About 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine

4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine (PubChem CID 133408075) has the molecular formula C15H12N6S2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine
PubChem CID133408075
Molecular FormulaC15H12N6S2
Molecular Weight340.44 g/mol
Exact Mass340.06
IUPAC Name4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Sc3nnnn3Cc3ccccc3)ncnc2s1
InChIInChI=1S/C15H12N6S2/c1-10-7-12-13(22-10)16-9-17-14(12)23-15-18-19-20-21(15)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyKQFVZRCBZDJTKE-UHFFFAOYSA-N
XLogP3.19
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
CID 18707764
4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine
CID 133408670
4-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylthieno[2,3-d]pyrimidine
CID 133408272
2-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole
CID 60560295
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
CID 91532309
2-(1-benzyltetrazol-5-yl)sulfanyl-4-phenyl-1,3-thiazole
CID 18708946
6-methyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
CID 133408236
4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 52545195
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole
CID 47124187
1-benzyl-5-chlorotetrazole
CID 46835417

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine (CID 133408075) is 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Sc3nnnn3Cc3ccccc3)ncnc2s1.
What is the InChIKey of 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is KQFVZRCBZDJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S2/c1-10-7-12-13(22-10)16-9-17-14(12)23-15-18-19-20-21(15)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3.
What are the key properties of 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine?
4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 340.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133408075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).