N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C12H14N4S — CID 4701980

IUPACN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc2nc(CNC3=NCCS3)cn12
InChIInChI=1S/C12H14N4S/c1-9-3-2-4-11-15-10(8-16(9)11)7-14-12-13-5-6-17-12/h2-4,8H,5-7H2,1H3,(H,13,14)
InChIKeyYLJQGGTVEVTPET-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.84
Rot. Bonds2

About N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 4701980) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID4701980
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc2nc(CNC3=NCCS3)cn12
InChIInChI=1S/C12H14N4S/c1-9-3-2-4-11-15-10(8-16(9)11)7-14-12-13-5-6-17-12/h2-4,8H,5-7H2,1H3,(H,13,14)
InChIKeyYLJQGGTVEVTPET-UHFFFAOYSA-N
XLogP1.84
TPSA41.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 4701980) is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cccc2nc(CNC3=NCCS3)cn12.
What is the InChIKey of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YLJQGGTVEVTPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-9-3-2-4-11-15-10(8-16(9)11)7-14-12-13-5-6-17-12/h2-4,8H,5-7H2,1H3,(H,13,14).
What are the key properties of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 246.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 4701980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).