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

C15H24N4S — CID 56707302

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCc1nc(C)sc1CNC(C)Cn1nc(C)cc1C
InChIInChI=1S/C15H24N4S/c1-6-14-15(20-13(5)17-14)8-16-11(3)9-19-12(4)7-10(2)18-19/h7,11,16H,6,8-9H2,1-5H3
InChIKeyQUTMONNEYCJTLF-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.01
Rot. Bonds6

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

1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 56707302) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID56707302
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCc1nc(C)sc1CNC(C)Cn1nc(C)cc1C
InChIInChI=1S/C15H24N4S/c1-6-14-15(20-13(5)17-14)8-16-11(3)9-19-12(4)7-10(2)18-19/h7,11,16H,6,8-9H2,1-5H3
InChIKeyQUTMONNEYCJTLF-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 56707302) is 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is CCc1nc(C)sc1CNC(C)Cn1nc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is QUTMONNEYCJTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-14-15(20-13(5)17-14)8-16-11(3)9-19-12(4)7-10(2)18-19/h7,11,16H,6,8-9H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 292.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 56707302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).