N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C11H17N5S — CID 103908134

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCc1nn(C)cc1Nc1nc(C(C)C)ns1
InChIInChI=1S/C11H17N5S/c1-5-8-9(6-16(4)14-8)12-11-13-10(7(2)3)15-17-11/h6-7H,5H2,1-4H3,(H,12,13,15)
InChIKeyGBYFVPFIJBLLAI-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.70
Rot. Bonds4

About N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 103908134) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID103908134
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCc1nn(C)cc1Nc1nc(C(C)C)ns1
InChIInChI=1S/C11H17N5S/c1-5-8-9(6-16(4)14-8)12-11-13-10(7(2)3)15-17-11/h6-7H,5H2,1-4H3,(H,12,13,15)
InChIKeyGBYFVPFIJBLLAI-UHFFFAOYSA-N
XLogP2.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 103908134) is N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CCc1nn(C)cc1Nc1nc(C(C)C)ns1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is GBYFVPFIJBLLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-5-8-9(6-16(4)14-8)12-11-13-10(7(2)3)15-17-11/h6-7H,5H2,1-4H3,(H,12,13,15).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 251.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103908134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).