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

C15H27N3S — CID 120900971

IUPAC1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCc1nc(C)c(C(C)N(C)CC2(C)CCNC2)s1
InChIInChI=1S/C15H27N3S/c1-6-13-17-11(2)14(19-13)12(3)18(5)10-15(4)7-8-16-9-15/h12,16H,6-10H2,1-5H3
InChIKeyWYHRNPKALHDMBC-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.01
Rot. Bonds5

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

1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 120900971) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID120900971
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCc1nc(C)c(C(C)N(C)CC2(C)CCNC2)s1
InChIInChI=1S/C15H27N3S/c1-6-13-17-11(2)14(19-13)12(3)18(5)10-15(4)7-8-16-9-15/h12,16H,6-10H2,1-5H3
InChIKeyWYHRNPKALHDMBC-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine (CID 120900971) is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine is CCc1nc(C)c(C(C)N(C)CC2(C)CCNC2)s1.
What is the InChIKey of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is WYHRNPKALHDMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-6-13-17-11(2)14(19-13)12(3)18(5)10-15(4)7-8-16-9-15/h12,16H,6-10H2,1-5H3.
What are the key properties of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 281.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 120900971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).