1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine

C7H10N6S — CID 63718094

IUPAC1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine
SMILESCC(Nc1nnnn1C)c1nccs1
InChIInChI=1S/C7H10N6S/c1-5(6-8-3-4-14-6)9-7-10-11-12-13(7)2/h3-5H,1-2H3,(H,9,10,12)
InChIKeyJBGWCIMHZYPGSZ-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.84
Rot. Bonds3

About 1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine

1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine (PubChem CID 63718094) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine
PubChem CID63718094
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine
SMILESCC(Nc1nnnn1C)c1nccs1
InChIInChI=1S/C7H10N6S/c1-5(6-8-3-4-14-6)9-7-10-11-12-13(7)2/h3-5H,1-2H3,(H,9,10,12)
InChIKeyJBGWCIMHZYPGSZ-UHFFFAOYSA-N
XLogP0.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine?
The IUPAC name of 1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine (CID 63718094) is 1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine.
What is the SMILES notation for 1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine?
The canonical SMILES for 1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine is CC(Nc1nnnn1C)c1nccs1.
What is the InChIKey of 1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine?
The InChIKey is JBGWCIMHZYPGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-5(6-8-3-4-14-6)9-7-10-11-12-13(7)2/h3-5H,1-2H3,(H,9,10,12).
What are the key properties of 1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine?
1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine has a molecular weight of 210.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]tetrazol-5-amine is sourced from PubChem (CID 63718094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).