1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine

C12H13N5S — CID 65275003

IUPAC1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine
SMILESCC(C)c1nsc(-n2ncc3ccc(N)cc32)n1
InChIInChI=1S/C12H13N5S/c1-7(2)11-15-12(18-16-11)17-10-5-9(13)4-3-8(10)6-14-17/h3-7H,13H2,1-2H3
InChIKeyHXZQNUCGECRKRU-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.58
Rot. Bonds2

About 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine

1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine (PubChem CID 65275003) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine
PubChem CID65275003
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine
SMILESCC(C)c1nsc(-n2ncc3ccc(N)cc32)n1
InChIInChI=1S/C12H13N5S/c1-7(2)11-15-12(18-16-11)17-10-5-9(13)4-3-8(10)6-14-17/h3-7H,13H2,1-2H3
InChIKeyHXZQNUCGECRKRU-UHFFFAOYSA-N
XLogP2.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine (CID 65275003) is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine is CC(C)c1nsc(-n2ncc3ccc(N)cc32)n1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine?
The InChIKey is HXZQNUCGECRKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-7(2)11-15-12(18-16-11)17-10-5-9(13)4-3-8(10)6-14-17/h3-7H,13H2,1-2H3.
What are the key properties of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine?
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine has a molecular weight of 259.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)indazol-6-amine is sourced from PubChem (CID 65275003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).