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

C12H13N5S — CID 79293782

IUPAC7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2C(C)c1nccs1
InChIInChI=1S/C12H13N5S/c1-7-3-4-14-10-9(7)16-12(13)17(10)8(2)11-15-5-6-18-11/h3-6,8H,1-2H3,(H2,13,16)
InChIKeyWOVRISIMAMKIHY-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.39
Rot. Bonds2

About 7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine

7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79293782) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79293782
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2C(C)c1nccs1
InChIInChI=1S/C12H13N5S/c1-7-3-4-14-10-9(7)16-12(13)17(10)8(2)11-15-5-6-18-11/h3-6,8H,1-2H3,(H2,13,16)
InChIKeyWOVRISIMAMKIHY-UHFFFAOYSA-N
XLogP2.39
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79289847
7-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79288016
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288315
3-[1-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288522
7-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 113333995
1,3-dimethyl-6-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79296870
7-methyl-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79288525
7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79288597
ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate
CID 79288175
3-[4-(furan-2-yl)butan-2-yl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288390
3-amino-4-[1-(1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-thione
CID 64571546
7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79288529

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine (CID 79293782) is 7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine is Cc1ccnc2c1nc(N)n2C(C)c1nccs1.
What is the InChIKey of 7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is WOVRISIMAMKIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-7-3-4-14-10-9(7)16-12(13)17(10)8(2)11-15-5-6-18-11/h3-6,8H,1-2H3,(H2,13,16).
What are the key properties of 7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine?
7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 259.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79293782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).