5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine

C8H5IN6S2 — CID 44825285

IUPAC5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCn1nnnc1Sc1ncnc2scc(I)c12
InChIInChI=1S/C8H5IN6S2/c1-15-8(12-13-14-15)17-7-5-4(9)2-16-6(5)10-3-11-7/h2-3H,1H3
InChIKeyHVUFAUWNDAFJOR-UHFFFAOYSA-N
MW376.21 g/mol
LogP1.97
Rot. Bonds2

About 5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine

5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (PubChem CID 44825285) has the molecular formula C8H5IN6S2 and a molecular weight of 376.21 g/mol. Its IUPAC name is 5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
PubChem CID44825285
Molecular FormulaC8H5IN6S2
Molecular Weight376.21 g/mol
Exact Mass375.91
IUPAC Name5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCn1nnnc1Sc1ncnc2scc(I)c12
InChIInChI=1S/C8H5IN6S2/c1-15-8(12-13-14-15)17-7-5-4(9)2-16-6(5)10-3-11-7/h2-3H,1H3
InChIKeyHVUFAUWNDAFJOR-UHFFFAOYSA-N
XLogP1.97
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
CID 44142150
3-cyclopropyl-4-methyl-5-{thieno[2,3-d]pyrimidin-4-ylsulfanyl}-4H-1,2,4-triazole
CID 17463099
4-(1-Methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
CID 2377964
4-Butylsulfanylthieno[2,3-d]pyrimidine
CID 2418745
4-Butan-2-ylsulfanylthieno[2,3-d]pyrimidine
CID 4825874
4-(1-Cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
CID 9207091
4-[[4-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 9112452
4-(1-Cyclopentyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
CID 9207033
N-tert-butyl-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 16346772
5-Chloro-4-ethylsulfanylthieno[2,3-d]pyrimidine
CID 15745774
4-Iodothieno[2,3-d]pyrimidine
CID 12225269
4-Iodo-5-methylthieno[2,3-d]pyrimidine
CID 12225272

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (CID 44825285) is 5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is Cn1nnnc1Sc1ncnc2scc(I)c12.
What is the InChIKey of 5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is HVUFAUWNDAFJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN6S2/c1-15-8(12-13-14-15)17-7-5-4(9)2-16-6(5)10-3-11-7/h2-3H,1H3.
What are the key properties of 5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 376.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 44825285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).