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

C13H21N5S — CID 133427128

IUPAC3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(CC)c2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H21N5S/c1-6-10(12-8(3)16-18(5)9(12)4)14-13-15-11(7-2)17-19-13/h10H,6-7H2,1-5H3,(H,14,15,17)
InChIKeyZWTNFSWCDPSIKA-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.01
Rot. Bonds5

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

3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133427128) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine
PubChem CID133427128
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(CC)c2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H21N5S/c1-6-10(12-8(3)16-18(5)9(12)4)14-13-15-11(7-2)17-19-13/h10H,6-7H2,1-5H3,(H,14,15,17)
InChIKeyZWTNFSWCDPSIKA-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine
CID 133331856
6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 99612743
N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 115717343
2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
CID 86789477
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
3-(methylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 64812406
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
2-nitro-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]aniline
CID 133331811
(1R)-N-[(1R)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 99635121
(1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 99635119
2-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133331834
1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276801

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine (CID 133427128) is 3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NC(CC)c2c(C)nn(C)c2C)n1.
What is the InChIKey of 3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZWTNFSWCDPSIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-6-10(12-8(3)16-18(5)9(12)4)14-13-15-11(7-2)17-19-13/h10H,6-7H2,1-5H3,(H,14,15,17).
What are the key properties of 3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 279.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133427128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).