N-(2-phenylethyl)thiatriazol-5-amine

C9H10N4S — CID 2809693

IUPACN-(2-phenylethyl)thiatriazol-5-amine
SMILESc1ccc(CCNc2nnns2)cc1
InChIInChI=1S/C9H10N4S/c1-2-4-8(5-3-1)6-7-10-9-11-12-13-14-9/h1-5H,6-7H2,(H,10,11,13)
InChIKeyYNSKUACLGKDOPN-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.59
Rot. Bonds4

About N-(2-phenylethyl)thiatriazol-5-amine

N-(2-phenylethyl)thiatriazol-5-amine (PubChem CID 2809693) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(2-phenylethyl)thiatriazol-5-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)thiatriazol-5-amine
PubChem CID2809693
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC NameN-(2-phenylethyl)thiatriazol-5-amine
SMILESc1ccc(CCNc2nnns2)cc1
InChIInChI=1S/C9H10N4S/c1-2-4-8(5-3-1)6-7-10-9-11-12-13-14-9/h1-5H,6-7H2,(H,10,11,13)
InChIKeyYNSKUACLGKDOPN-UHFFFAOYSA-N
XLogP1.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)thiatriazol-5-amine?
The IUPAC name of N-(2-phenylethyl)thiatriazol-5-amine (CID 2809693) is N-(2-phenylethyl)thiatriazol-5-amine.
What is the SMILES notation for N-(2-phenylethyl)thiatriazol-5-amine?
The canonical SMILES for N-(2-phenylethyl)thiatriazol-5-amine is c1ccc(CCNc2nnns2)cc1.
What is the InChIKey of N-(2-phenylethyl)thiatriazol-5-amine?
The InChIKey is YNSKUACLGKDOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-2-4-8(5-3-1)6-7-10-9-11-12-13-14-9/h1-5H,6-7H2,(H,10,11,13).
What are the key properties of N-(2-phenylethyl)thiatriazol-5-amine?
N-(2-phenylethyl)thiatriazol-5-amine has a molecular weight of 206.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)thiatriazol-5-amine is sourced from PubChem (CID 2809693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).