N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine

C15H24N4S — CID 104584971

IUPACN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCn1nc(C)c(C(C)NCC(C)c2nccs2)c1C
InChIInChI=1S/C15H24N4S/c1-6-19-13(5)14(12(4)18-19)11(3)17-9-10(2)15-16-7-8-20-15/h7-8,10-11,17H,6,9H2,1-5H3
InChIKeyHWSATRYRGLPCII-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.43
Rot. Bonds6

About N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104584971) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID104584971
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCn1nc(C)c(C(C)NCC(C)c2nccs2)c1C
InChIInChI=1S/C15H24N4S/c1-6-19-13(5)14(12(4)18-19)11(3)17-9-10(2)15-16-7-8-20-15/h7-8,10-11,17H,6,9H2,1-5H3
InChIKeyHWSATRYRGLPCII-UHFFFAOYSA-N
XLogP3.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783078
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585121
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712818
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63980803
N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585128
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 65243749
5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 113429640
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]thiophen-3-amine
CID 66352339
[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 107230009
4-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585008
N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 104585067
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 113348764

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 104584971) is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is CCn1nc(C)c(C(C)NCC(C)c2nccs2)c1C.
What is the InChIKey of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is HWSATRYRGLPCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-19-13(5)14(12(4)18-19)11(3)17-9-10(2)15-16-7-8-20-15/h7-8,10-11,17H,6,9H2,1-5H3.
What are the key properties of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 292.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104584971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).