N-(4-propan-2-ylphenyl)thiatriazol-5-amine

C10H12N4S — CID 2826651

IUPACN-(4-propan-2-ylphenyl)thiatriazol-5-amine
SMILESCC(C)c1ccc(Nc2nnns2)cc1
InChIInChI=1S/C10H12N4S/c1-7(2)8-3-5-9(6-4-8)11-10-12-13-14-15-10/h3-7H,1-2H3,(H,11,12,14)
InChIKeyHRLFLEWEVCJNSR-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.80
Rot. Bonds3

About N-(4-propan-2-ylphenyl)thiatriazol-5-amine

N-(4-propan-2-ylphenyl)thiatriazol-5-amine (PubChem CID 2826651) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)thiatriazol-5-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)thiatriazol-5-amine
PubChem CID2826651
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC NameN-(4-propan-2-ylphenyl)thiatriazol-5-amine
SMILESCC(C)c1ccc(Nc2nnns2)cc1
InChIInChI=1S/C10H12N4S/c1-7(2)8-3-5-9(6-4-8)11-10-12-13-14-15-10/h3-7H,1-2H3,(H,11,12,14)
InChIKeyHRLFLEWEVCJNSR-UHFFFAOYSA-N
XLogP2.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)thiatriazol-5-amine?
The IUPAC name of N-(4-propan-2-ylphenyl)thiatriazol-5-amine (CID 2826651) is N-(4-propan-2-ylphenyl)thiatriazol-5-amine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)thiatriazol-5-amine?
The canonical SMILES for N-(4-propan-2-ylphenyl)thiatriazol-5-amine is CC(C)c1ccc(Nc2nnns2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)thiatriazol-5-amine?
The InChIKey is HRLFLEWEVCJNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7(2)8-3-5-9(6-4-8)11-10-12-13-14-15-10/h3-7H,1-2H3,(H,11,12,14).
What are the key properties of N-(4-propan-2-ylphenyl)thiatriazol-5-amine?
N-(4-propan-2-ylphenyl)thiatriazol-5-amine has a molecular weight of 220.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)thiatriazol-5-amine is sourced from PubChem (CID 2826651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).