N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine

C11H17N5S — CID 131906669

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)n(CCN(C)c2nnc(C)s2)n1
InChIInChI=1S/C11H17N5S/c1-8-7-9(2)16(14-8)6-5-15(4)11-13-12-10(3)17-11/h7H,5-6H2,1-4H3
InChIKeyXAILHKIHYDHNIZ-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.80
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 131906669) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID131906669
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)n(CCN(C)c2nnc(C)s2)n1
InChIInChI=1S/C11H17N5S/c1-8-7-9(2)16(14-8)6-5-15(4)11-13-12-10(3)17-11/h7H,5-6H2,1-4H3
InChIKeyXAILHKIHYDHNIZ-UHFFFAOYSA-N
XLogP1.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (CID 131906669) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is Cc1cc(C)n(CCN(C)c2nnc(C)s2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XAILHKIHYDHNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-8-7-9(2)16(14-8)6-5-15(4)11-13-12-10(3)17-11/h7H,5-6H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 251.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131906669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).