5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole

C6H7N5O2S3 — CID 18709101

IUPAC5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCn1nnc(Sc2ncc(S(C)(=O)=O)s2)n1
InChIInChI=1S/C6H7N5O2S3/c1-11-9-5(8-10-11)15-6-7-3-4(14-6)16(2,12)13/h3H,1-2H3
InChIKeyMTYZNDSMQYYQOZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.22
Rot. Bonds3

About 5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole

5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18709101) has the molecular formula C6H7N5O2S3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18709101
Molecular FormulaC6H7N5O2S3
Molecular Weight277.36 g/mol
Exact Mass276.98
IUPAC Name5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCn1nnc(Sc2ncc(S(C)(=O)=O)s2)n1
InChIInChI=1S/C6H7N5O2S3/c1-11-9-5(8-10-11)15-6-7-3-4(14-6)16(2,12)13/h3H,1-2H3
InChIKeyMTYZNDSMQYYQOZ-UHFFFAOYSA-N
XLogP0.22
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18709101) is 5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole is Cn1nnc(Sc2ncc(S(C)(=O)=O)s2)n1.
What is the InChIKey of 5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is MTYZNDSMQYYQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S3/c1-11-9-5(8-10-11)15-6-7-3-4(14-6)16(2,12)13/h3H,1-2H3.
What are the key properties of 5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 277.36 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18709101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).