5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole

C13H13ClN4S — CID 79292805

IUPAC5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(Cn2c(C(C)Cl)nc3cnccc32)s1
InChIInChI=1S/C13H13ClN4S/c1-8(14)13-17-11-6-15-4-3-12(11)18(13)7-10-5-16-9(2)19-10/h3-6,8H,7H2,1-2H3
InChIKeyOVEVHVWUMDQBFA-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.54
Rot. Bonds3

About 5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole

5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 79292805) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID79292805
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(Cn2c(C(C)Cl)nc3cnccc32)s1
InChIInChI=1S/C13H13ClN4S/c1-8(14)13-17-11-6-15-4-3-12(11)18(13)7-10-5-16-9(2)19-10/h3-6,8H,7H2,1-2H3
InChIKeyOVEVHVWUMDQBFA-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292472
2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292047
2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375889
5-[[2-(1-chloroethyl)-6-fluoro-5-iodobenzimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 66093646
2-(1-chloroethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazo[4,5-c]pyridine
CID 106036565
2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 79274286
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79270354
2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326628
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 79292216
N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine
CID 79292538
2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine
CID 107817087
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide
CID 79292930

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 79292805) is 5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1ncc(Cn2c(C(C)Cl)nc3cnccc32)s1.
What is the InChIKey of 5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is OVEVHVWUMDQBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-8(14)13-17-11-6-15-4-3-12(11)18(13)7-10-5-16-9(2)19-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole?
5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 292.80 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 79292805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).