1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine

C15H24N4S — CID 61193674

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nc(C)c(C(C)NCc2cn(C)nc2C(C)C)s1
InChIInChI=1S/C15H24N4S/c1-9(2)14-13(8-19(6)18-14)7-16-10(3)15-11(4)17-12(5)20-15/h8-10,16H,7H2,1-6H3
InChIKeyPZBTXHXILJHRLL-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.47
Rot. Bonds5

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 61193674) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID61193674
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nc(C)c(C(C)NCc2cn(C)nc2C(C)C)s1
InChIInChI=1S/C15H24N4S/c1-9(2)14-13(8-19(6)18-14)7-16-10(3)15-11(4)17-12(5)20-15/h8-10,16H,7H2,1-6H3
InChIKeyPZBTXHXILJHRLL-UHFFFAOYSA-N
XLogP3.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine (CID 61193674) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine is Cc1nc(C)c(C(C)NCc2cn(C)nc2C(C)C)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is PZBTXHXILJHRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-9(2)14-13(8-19(6)18-14)7-16-10(3)15-11(4)17-12(5)20-15/h8-10,16H,7H2,1-6H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 292.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 61193674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).