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

C14H17N5S — CID 79288315

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1nc(C)c(C(C)n2c(N)nc3c(C)ccnc32)s1
InChIInChI=1S/C14H17N5S/c1-7-5-6-16-13-11(7)18-14(15)19(13)9(3)12-8(2)17-10(4)20-12/h5-6,9H,1-4H3,(H2,15,18)
InChIKeyPWNZKAQJWZRYPQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.00
Rot. Bonds2

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

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79288315) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79288315
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1nc(C)c(C(C)n2c(N)nc3c(C)ccnc32)s1
InChIInChI=1S/C14H17N5S/c1-7-5-6-16-13-11(7)18-14(15)19(13)9(3)12-8(2)17-10(4)20-12/h5-6,9H,1-4H3,(H2,15,18)
InChIKeyPWNZKAQJWZRYPQ-UHFFFAOYSA-N
XLogP3.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine (CID 79288315) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine is Cc1nc(C)c(C(C)n2c(N)nc3c(C)ccnc32)s1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is PWNZKAQJWZRYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-7-5-6-16-13-11(7)18-14(15)19(13)9(3)12-8(2)17-10(4)20-12/h5-6,9H,1-4H3,(H2,15,18).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 287.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79288315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).