2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide

C12H15ClN4OS — CID 665534

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C12H15ClN4OS/c1-3-17(4-2)10(18)7-19-12-15-9-5-8(13)6-14-11(9)16-12/h5-6H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyMSLBZQIWTXIPAR-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.57
Rot. Bonds5

About 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide (PubChem CID 665534) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide
PubChem CID665534
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C12H15ClN4OS/c1-3-17(4-2)10(18)7-19-12-15-9-5-8(13)6-14-11(9)16-12/h5-6H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyMSLBZQIWTXIPAR-UHFFFAOYSA-N
XLogP2.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide (CID 665534) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc2ncc(Cl)cc2[nH]1.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is MSLBZQIWTXIPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-3-17(4-2)10(18)7-19-12-15-9-5-8(13)6-14-11(9)16-12/h5-6H,3-4,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 298.80 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 665534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).