1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine

C12H13N5S — CID 114128300

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine
SMILESCCc1cnc(Cn2c(N)nc3cnccc32)s1
InChIInChI=1S/C12H13N5S/c1-2-8-5-15-11(18-8)7-17-10-3-4-14-6-9(10)16-12(17)13/h3-6H,2,7H2,1H3,(H2,13,16)
InChIKeyPTXLLKOYGMTOHV-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.08
Rot. Bonds3

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine (PubChem CID 114128300) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine
PubChem CID114128300
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine
SMILESCCc1cnc(Cn2c(N)nc3cnccc32)s1
InChIInChI=1S/C12H13N5S/c1-2-8-5-15-11(18-8)7-17-10-3-4-14-6-9(10)16-12(17)13/h3-6H,2,7H2,1H3,(H2,13,16)
InChIKeyPTXLLKOYGMTOHV-UHFFFAOYSA-N
XLogP2.08
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine (CID 114128300) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine is CCc1cnc(Cn2c(N)nc3cnccc32)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine?
The InChIKey is PTXLLKOYGMTOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-2-8-5-15-11(18-8)7-17-10-3-4-14-6-9(10)16-12(17)13/h3-6H,2,7H2,1H3,(H2,13,16).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine has a molecular weight of 259.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 114128300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).