4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine

C8H12N6S — CID 65169861

IUPAC4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NC(C)c2nn[nH]n2)sc1C
InChIInChI=1S/C8H12N6S/c1-4-6(3)15-8(9-4)10-5(2)7-11-13-14-12-7/h5H,1-3H3,(H,9,10)(H,11,12,13,14)
InChIKeyRWPHBQZILKGMRY-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.45
Rot. Bonds3

About 4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 65169861) has the molecular formula C8H12N6S and a molecular weight of 224.29 g/mol. Its IUPAC name is 4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID65169861
Molecular FormulaC8H12N6S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Name4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NC(C)c2nn[nH]n2)sc1C
InChIInChI=1S/C8H12N6S/c1-4-6(3)15-8(9-4)10-5(2)7-11-13-14-12-7/h5H,1-3H3,(H,9,10)(H,11,12,13,14)
InChIKeyRWPHBQZILKGMRY-UHFFFAOYSA-N
XLogP1.45
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine (CID 65169861) is 4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine is Cc1nc(NC(C)c2nn[nH]n2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is RWPHBQZILKGMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6S/c1-4-6(3)15-8(9-4)10-5(2)7-11-13-14-12-7/h5H,1-3H3,(H,9,10)(H,11,12,13,14).
What are the key properties of 4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 224.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65169861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).