1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C11H17N5S — CID 105154948

IUPAC1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCc1nnsc1C(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H17N5S/c1-7(2)16-5-4-9(14-16)6-10(12)11-8(3)13-15-17-11/h4-5,7,10H,6,12H2,1-3H3
InChIKeyVYAJAMRWJKTEOH-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 105154948) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID105154948
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCc1nnsc1C(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H17N5S/c1-7(2)16-5-4-9(14-16)6-10(12)11-8(3)13-15-17-11/h4-5,7,10H,6,12H2,1-3H3
InChIKeyVYAJAMRWJKTEOH-UHFFFAOYSA-N
XLogP1.87
TPSA69.62 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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105154876
1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990024
2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105103422
1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975691
1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107985060
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 106791641
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104989989
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79617518

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 105154948) is 1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is Cc1nnsc1C(N)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is VYAJAMRWJKTEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7(2)16-5-4-9(14-16)6-10(12)11-8(3)13-15-17-11/h4-5,7,10H,6,12H2,1-3H3.
What are the key properties of 1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 251.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105154948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).