4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine

C23H24ClN5O2S2 — CID 78427517

IUPAC4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCS(=O)(=O)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C23H24ClN5O2S2/c1-3-19-22(27(2)23-26-20(15-32-23)16-4-6-17(24)7-5-16)29-14-18(8-9-21(29)25-19)28-10-12-33(30,31)13-11-28/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyDUDFDEKBJHPARI-UHFFFAOYSA-N
MW502.07 g/mol
LogP4.68
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 78427517) has the molecular formula C23H24ClN5O2S2 and a molecular weight of 502.07 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID78427517
Molecular FormulaC23H24ClN5O2S2
Molecular Weight502.07 g/mol
Exact Mass501.11
IUPAC Name4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCS(=O)(=O)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C23H24ClN5O2S2/c1-3-19-22(27(2)23-26-20(15-32-23)16-4-6-17(24)7-5-16)29-14-18(8-9-21(29)25-19)28-10-12-33(30,31)13-11-28/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyDUDFDEKBJHPARI-UHFFFAOYSA-N
XLogP4.68
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.07
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (CID 78427517) is 4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CCS(=O)(=O)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is DUDFDEKBJHPARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2S2/c1-3-19-22(27(2)23-26-20(15-32-23)16-4-6-17(24)7-5-16)29-14-18(8-9-21(29)25-19)28-10-12-33(30,31)13-11-28/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 502.07 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78427517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).