1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C12H11ClN4O3S — CID 155666837

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCC1Cn2c(c([N+](=O)[O-])ccc2=O)N1Cc1cnc(Cl)s1
InChIInChI=1S/C12H11ClN4O3S/c1-7-5-16-10(18)3-2-9(17(19)20)11(16)15(7)6-8-4-14-12(13)21-8/h2-4,7H,5-6H2,1H3
InChIKeyYTBMKEPSGMBLEY-UHFFFAOYSA-N
MW326.77 g/mol
LogP2.28
Rot. Bonds3

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 155666837) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID155666837
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCC1Cn2c(c([N+](=O)[O-])ccc2=O)N1Cc1cnc(Cl)s1
InChIInChI=1S/C12H11ClN4O3S/c1-7-5-16-10(18)3-2-9(17(19)20)11(16)15(7)6-8-4-14-12(13)21-8/h2-4,7H,5-6H2,1H3
InChIKeyYTBMKEPSGMBLEY-UHFFFAOYSA-N
XLogP2.28
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-ethyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 155666849
2-chloro-5-[(3-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-1-yl)methyl]-1,3-thiazole
CID 175050865
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-methyl-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
CID 155666820
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methyl-5-nitropyrimidine-2,4-dione
CID 79765240
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one
CID 104680079
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione
CID 79765110
2-chloro-5-[(3-nitropyrazol-1-yl)methyl]-1,3-thiazole
CID 79764095
2-chloro-5-[(2-methyl-3-nitrophenoxy)methyl]-1,3-thiazole
CID 79764108
2-chloro-5-[[(2E)-2-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl]methyl]-1,3-thiazole
CID 44556633
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine
CID 141449791
1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione
CID 79764600
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-nitro-1,3-benzoxazol-2-one
CID 79764037

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 155666837) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one is CC1Cn2c(c([N+](=O)[O-])ccc2=O)N1Cc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is YTBMKEPSGMBLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c1-7-5-16-10(18)3-2-9(17(19)20)11(16)15(7)6-8-4-14-12(13)21-8/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 326.77 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 155666837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).