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

C15H24N4S — CID 79584851

IUPACN-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(CC)c(C)s1)c1cnn(C)c1C
InChIInChI=1S/C15H24N4S/c1-6-8-16-14(12-9-17-19(5)10(12)3)15-18-13(7-2)11(4)20-15/h9,14,16H,6-8H2,1-5H3
InChIKeyXQBPBTZWGLGCLQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.14
Rot. Bonds6

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

N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 79584851) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID79584851
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(CC)c(C)s1)c1cnn(C)c1C
InChIInChI=1S/C15H24N4S/c1-6-8-16-14(12-9-17-19(5)10(12)3)15-18-13(7-2)11(4)20-15/h9,14,16H,6-8H2,1-5H3
InChIKeyXQBPBTZWGLGCLQ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 79568651
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859194
N-[(5-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61345428
N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105145523
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102033
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178595
1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine
CID 105161099
N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105179186
N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105187854
N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 105175445
N-[(4-bromo-3-methylphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480408

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 79584851) is N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1nc(CC)c(C)s1)c1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is XQBPBTZWGLGCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-8-16-14(12-9-17-19(5)10(12)3)15-18-13(7-2)11(4)20-15/h9,14,16H,6-8H2,1-5H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 292.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79584851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).