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

C13H14N6S — CID 30852464

IUPAC2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine
SMILESCCn1nnc(NCc2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C13H14N6S/c1-2-19-17-13(16-18-19)15-9-11-8-14-12(20-11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyZKOLJOJSRCDOMR-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.43
Rot. Bonds5

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

2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine (PubChem CID 30852464) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine
PubChem CID30852464
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine
SMILESCCn1nnc(NCc2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C13H14N6S/c1-2-19-17-13(16-18-19)15-9-11-8-14-12(20-11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyZKOLJOJSRCDOMR-UHFFFAOYSA-N
XLogP2.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine?
The IUPAC name of 2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine (CID 30852464) is 2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine.
What is the SMILES notation for 2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine?
The canonical SMILES for 2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine is CCn1nnc(NCc2cnc(-c3ccccc3)s2)n1.
What is the InChIKey of 2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine?
The InChIKey is ZKOLJOJSRCDOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-2-19-17-13(16-18-19)15-9-11-8-14-12(20-11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,17).
What are the key properties of 2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine?
2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine has a molecular weight of 286.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine is sourced from PubChem (CID 30852464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).