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

C6H7N5O2S3 — CID 18707702

IUPAC5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCn1nnnc1Sc1ncc(S(C)(=O)=O)s1
InChIInChI=1S/C6H7N5O2S3/c1-11-5(8-9-10-11)15-6-7-3-4(14-6)16(2,12)13/h3H,1-2H3
InChIKeyRZPOLSBQLCWQDE-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.22
Rot. Bonds3

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

5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18707702) has the molecular formula C6H7N5O2S3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18707702
Molecular FormulaC6H7N5O2S3
Molecular Weight277.36 g/mol
Exact Mass276.98
IUPAC Name5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCn1nnnc1Sc1ncc(S(C)(=O)=O)s1
InChIInChI=1S/C6H7N5O2S3/c1-11-5(8-9-10-11)15-6-7-3-4(14-6)16(2,12)13/h3H,1-2H3
InChIKeyRZPOLSBQLCWQDE-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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Related Compounds

2-amino-5-(1-methyl-1H-tetrazol-5-ylthio)thiazole
CID 15729186
5-Methylsulfonyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
CID 18707535
2-(2-Butyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole
CID 18707657
5-methylsulfonyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole
CID 18707687
2-(1-Tert-butyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole
CID 18707709
5-Methylsulfonyl-2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18707969
2-(1-Ethyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole
CID 18708017
2-(1-Methyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708061
5-Methylsulfonyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708090
5-[(5-Methylsulfonyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18708352
5-Methylsulfonyl-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708383
2-(1-Cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole
CID 18708558

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18707702) is 5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole is Cn1nnnc1Sc1ncc(S(C)(=O)=O)s1.
What is the InChIKey of 5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is RZPOLSBQLCWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S3/c1-11-5(8-9-10-11)15-6-7-3-4(14-6)16(2,12)13/h3H,1-2H3.
What are the key properties of 5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
5-methylsulfonyl-2-(1-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-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18707702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).