N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine

C16H20N4S — CID 84593989

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine
SMILESCCc1cnc(CN(C)Cc2cnc3c(C)cccn23)s1
InChIInChI=1S/C16H20N4S/c1-4-14-9-17-15(21-14)11-19(3)10-13-8-18-16-12(2)6-5-7-20(13)16/h5-9H,4,10-11H2,1-3H3
InChIKeyMPNFXGOQOVBISQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.29
Rot. Bonds5

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine (PubChem CID 84593989) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine
PubChem CID84593989
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine
SMILESCCc1cnc(CN(C)Cc2cnc3c(C)cccn23)s1
InChIInChI=1S/C16H20N4S/c1-4-14-9-17-15(21-14)11-19(3)10-13-8-18-16-12(2)6-5-7-20(13)16/h5-9H,4,10-11H2,1-3H3
InChIKeyMPNFXGOQOVBISQ-UHFFFAOYSA-N
XLogP3.29
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine (CID 84593989) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine is CCc1cnc(CN(C)Cc2cnc3c(C)cccn23)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine?
The InChIKey is MPNFXGOQOVBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-4-14-9-17-15(21-14)11-19(3)10-13-8-18-16-12(2)6-5-7-20(13)16/h5-9H,4,10-11H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine has a molecular weight of 300.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine is sourced from PubChem (CID 84593989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).