4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole

C8H11N5S2 — CID 18709371

IUPAC4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCCCn1nnnc1Sc1nc(C)cs1
InChIInChI=1S/C8H11N5S2/c1-3-4-13-7(10-11-12-13)15-8-9-6(2)5-14-8/h5H,3-4H2,1-2H3
InChIKeyZIMMVMOEUNXVFH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.00
Rot. Bonds4

About 4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole

4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18709371) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18709371
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCCCn1nnnc1Sc1nc(C)cs1
InChIInChI=1S/C8H11N5S2/c1-3-4-13-7(10-11-12-13)15-8-9-6(2)5-14-8/h5H,3-4H2,1-2H3
InChIKeyZIMMVMOEUNXVFH-UHFFFAOYSA-N
XLogP2.00
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18709371) is 4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole is CCCn1nnnc1Sc1nc(C)cs1.
What is the InChIKey of 4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is ZIMMVMOEUNXVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-3-4-13-7(10-11-12-13)15-8-9-6(2)5-14-8/h5H,3-4H2,1-2H3.
What are the key properties of 4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 241.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18709371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).