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

C12H13N5S — CID 79288529

IUPAC7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1csc(Cn2c(N)nc3c(C)ccnc32)n1
InChIInChI=1S/C12H13N5S/c1-7-3-4-14-11-10(7)16-12(13)17(11)5-9-15-8(2)6-18-9/h3-4,6H,5H2,1-2H3,(H2,13,16)
InChIKeyOTPJSMOORCUFAA-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.14
Rot. Bonds2

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

7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79288529) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79288529
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1csc(Cn2c(N)nc3c(C)ccnc32)n1
InChIInChI=1S/C12H13N5S/c1-7-3-4-14-11-10(7)16-12(13)17(11)5-9-15-8(2)6-18-9/h3-4,6H,5H2,1-2H3,(H2,13,16)
InChIKeyOTPJSMOORCUFAA-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
Ikk-IN-3
CID 10215156
N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850634
9-butyl-8-[(7-fluoro-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850833
N,4,12-trimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823920
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine (CID 79288529) is 7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine is Cc1csc(Cn2c(N)nc3c(C)ccnc32)n1.
What is the InChIKey of 7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is OTPJSMOORCUFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-7-3-4-14-11-10(7)16-12(13)17(11)5-9-15-8(2)6-18-9/h3-4,6H,5H2,1-2H3,(H2,13,16).
What are the key properties of 7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 259.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79288529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).