6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C14H12ClN3O3S2 — CID 167761968

IUPAC6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1COCC2)c1c(Cl)nc2sccn12
InChIInChI=1S/C14H12ClN3O3S2/c15-12-13(18-5-7-22-14(18)16-12)23(19,20)17-11-3-1-2-9-4-6-21-8-10(9)11/h1-3,5,7,17H,4,6,8H2
InChIKeyJKKLDZUIMSKKFT-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.92
Rot. Bonds3

About 6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 167761968) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID167761968
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC Name6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1COCC2)c1c(Cl)nc2sccn12
InChIInChI=1S/C14H12ClN3O3S2/c15-12-13(18-5-7-22-14(18)16-12)23(19,20)17-11-3-1-2-9-4-6-21-8-10(9)11/h1-3,5,7,17H,4,6,8H2
InChIKeyJKKLDZUIMSKKFT-UHFFFAOYSA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 167761968) is 6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1cccc2c1COCC2)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is JKKLDZUIMSKKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c15-12-13(18-5-7-22-14(18)16-12)23(19,20)17-11-3-1-2-9-4-6-21-8-10(9)11/h1-3,5,7,17H,4,6,8H2.
What are the key properties of 6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 369.86 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 167761968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).