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

C15H24N4S — CID 50958457

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCn1nc(C)c(CN(C)CCc2scnc2C)c1C
InChIInChI=1S/C15H24N4S/c1-6-19-13(4)14(11(2)17-19)9-18(5)8-7-15-12(3)16-10-20-15/h10H,6-9H2,1-5H3
InChIKeyQKOLYGBGEGOJHQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.96
Rot. Bonds6

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

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 50958457) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID50958457
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCn1nc(C)c(CN(C)CCc2scnc2C)c1C
InChIInChI=1S/C15H24N4S/c1-6-19-13(4)14(11(2)17-19)9-18(5)8-7-15-12(3)16-10-20-15/h10H,6-9H2,1-5H3
InChIKeyQKOLYGBGEGOJHQ-UHFFFAOYSA-N
XLogP2.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 50958457) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is CCn1nc(C)c(CN(C)CCc2scnc2C)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is QKOLYGBGEGOJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-19-13(4)14(11(2)17-19)9-18(5)8-7-15-12(3)16-10-20-15/h10H,6-9H2,1-5H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 292.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 50958457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).