2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine

C11H9ClN4S — CID 103402863

IUPAC2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1csc(-c2nc3nc(N)ccc3[nH]2)c1Cl
InChIInChI=1S/C11H9ClN4S/c1-5-4-17-9(8(5)12)11-14-6-2-3-7(13)15-10(6)16-11/h2-4H,1H3,(H3,13,14,15,16)
InChIKeyXMHAUIFZXWEYSD-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.23
Rot. Bonds1

About 2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine

2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 103402863) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID103402863
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1csc(-c2nc3nc(N)ccc3[nH]2)c1Cl
InChIInChI=1S/C11H9ClN4S/c1-5-4-17-9(8(5)12)11-14-6-2-3-7(13)15-10(6)16-11/h2-4H,1H3,(H3,13,14,15,16)
InChIKeyXMHAUIFZXWEYSD-UHFFFAOYSA-N
XLogP3.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821019
8-(3-chloro-4-methylthiophen-2-yl)-7H-purine
CID 103402885
2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole
CID 103402830
2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 103402838
2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821632
2-(3,4-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821930
2-(3-chloro-4-methylthiophen-2-yl)-5,6-difluoro-1H-benzimidazole
CID 103402837
2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole
CID 103402869
4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-amine
CID 81136804
4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol
CID 136750914
2-(2-amino-4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820778
2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820784

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 103402863) is 2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine is Cc1csc(-c2nc3nc(N)ccc3[nH]2)c1Cl.
What is the InChIKey of 2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is XMHAUIFZXWEYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c1-5-4-17-9(8(5)12)11-14-6-2-3-7(13)15-10(6)16-11/h2-4H,1H3,(H3,13,14,15,16).
What are the key properties of 2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 264.74 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 103402863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).