N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine

C13H21N5S — CID 105160117

IUPACN-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(CC)nn1C)c1csnn1
InChIInChI=1S/C13H21N5S/c1-4-6-14-12(13-9-19-17-15-13)8-11-7-10(5-2)16-18(11)3/h7,9,12,14H,4-6,8H2,1-3H3
InChIKeyRQXSDMUMFRFXBW-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.12
Rot. Bonds7

About N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine

N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine (PubChem CID 105160117) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
PubChem CID105160117
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(CC)nn1C)c1csnn1
InChIInChI=1S/C13H21N5S/c1-4-6-14-12(13-9-19-17-15-13)8-11-7-10(5-2)16-18(11)3/h7,9,12,14H,4-6,8H2,1-3H3
InChIKeyRQXSDMUMFRFXBW-UHFFFAOYSA-N
XLogP2.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-1-(thiadiazol-4-yl)propan-1-amine
CID 105078585
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105160172
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105160170
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
CID 116660904
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160161
N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105151873
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105160085
4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81020037
5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine
CID 105177007
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105111380

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine (CID 105160117) is N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(CC)nn1C)c1csnn1.
What is the InChIKey of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is RQXSDMUMFRFXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-4-6-14-12(13-9-19-17-15-13)8-11-7-10(5-2)16-18(11)3/h7,9,12,14H,4-6,8H2,1-3H3.
What are the key properties of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105160117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).