6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine

C15H22N4S — CID 83127304

IUPAC6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
SMILESCCNC(C)c1ccc(N(C)Cc2scnc2C)cn1
InChIInChI=1S/C15H22N4S/c1-5-16-11(2)14-7-6-13(8-17-14)19(4)9-15-12(3)18-10-20-15/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyMNMSQOOFRHNZMH-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.15
Rot. Bonds6

About 6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine

6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine (PubChem CID 83127304) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
PubChem CID83127304
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
SMILESCCNC(C)c1ccc(N(C)Cc2scnc2C)cn1
InChIInChI=1S/C15H22N4S/c1-5-16-11(2)14-7-6-13(8-17-14)19(4)9-15-12(3)18-10-20-15/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyMNMSQOOFRHNZMH-UHFFFAOYSA-N
XLogP3.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine (CID 83127304) is 6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine is CCNC(C)c1ccc(N(C)Cc2scnc2C)cn1.
What is the InChIKey of 6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine?
The InChIKey is MNMSQOOFRHNZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-16-11(2)14-7-6-13(8-17-14)19(4)9-15-12(3)18-10-20-15/h6-8,10-11,16H,5,9H2,1-4H3.
What are the key properties of 6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine?
6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine has a molecular weight of 290.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 83127304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).