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

C17H21N5S — CID 133491457

IUPAC3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NC(C)c2ccccc2-n2cccn2)n1
InChIInChI=1S/C17H21N5S/c1-12(2)11-16-20-17(23-21-16)19-13(3)14-7-4-5-8-15(14)22-10-6-9-18-22/h4-10,12-13H,11H2,1-3H3,(H,19,20,21)
InChIKeyKGJZRXBIDIFBAD-UHFFFAOYSA-N
MW327.46 g/mol
LogP4.10
Rot. Bonds6

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

3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133491457) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID133491457
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Name3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NC(C)c2ccccc2-n2cccn2)n1
InChIInChI=1S/C17H21N5S/c1-12(2)11-16-20-17(23-21-16)19-13(3)14-7-4-5-8-15(14)22-10-6-9-18-22/h4-10,12-13H,11H2,1-3H3,(H,19,20,21)
InChIKeyKGJZRXBIDIFBAD-UHFFFAOYSA-N
XLogP4.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 43284732
N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 71862790
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine;dihydrochloride
CID 154912415
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133491476
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
CID 95132547
3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65276920
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
CID 91837818
N-(2-hydroxyethyl)-4-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyridine-2-carboxamide
CID 56906118
1-[2-[(2S,3R)-3-fluorobutan-2-yl]phenyl]pyrazole
CID 143730060
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 133491457) is 3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine is CC(C)Cc1nsc(NC(C)c2ccccc2-n2cccn2)n1.
What is the InChIKey of 3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is KGJZRXBIDIFBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S/c1-12(2)11-16-20-17(23-21-16)19-13(3)14-7-4-5-8-15(14)22-10-6-9-18-22/h4-10,12-13H,11H2,1-3H3,(H,19,20,21).
What are the key properties of 3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 327.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133491457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).