N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C12H19N5S — CID 133427899

IUPACN-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cn1cc(Nc2nc(C(C)C)ns2)cn1
InChIInChI=1S/C12H19N5S/c1-8(2)6-17-7-10(5-13-17)14-12-15-11(9(3)4)16-18-12/h5,7-9H,6H2,1-4H3,(H,14,15,16)
InChIKeyJOQWETFKBNVXJE-UHFFFAOYSA-N
MW265.39 g/mol
LogP3.26
Rot. Bonds5

About N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 133427899) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID133427899
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cn1cc(Nc2nc(C(C)C)ns2)cn1
InChIInChI=1S/C12H19N5S/c1-8(2)6-17-7-10(5-13-17)14-12-15-11(9(3)4)16-18-12/h5,7-9H,6H2,1-4H3,(H,14,15,16)
InChIKeyJOQWETFKBNVXJE-UHFFFAOYSA-N
XLogP3.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267633
3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
CID 65274201
N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103908134
N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133426001
N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine
CID 115777714
1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine
CID 115777715
3-tert-butyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
CID 65274085
2-(methylamino)-N-[1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119809382
N-hex-5-en-2-yl-1-(2-methylpropyl)pyrazol-4-amine
CID 104583993
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
5-(cyclobutadienyl)-N-[1-(2-methylpropyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104122
1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine
CID 62729328

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 133427899) is N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Cn1cc(Nc2nc(C(C)C)ns2)cn1.
What is the InChIKey of N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is JOQWETFKBNVXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-8(2)6-17-7-10(5-13-17)14-12-15-11(9(3)4)16-18-12/h5,7-9H,6H2,1-4H3,(H,14,15,16).
What are the key properties of N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 265.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133427899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).