6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C16H13ClN4O3S2 — CID 2738191

IUPAC6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1onc(-c2ccccc2)c1CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C16H13ClN4O3S2/c1-10-12(13(20-24-10)11-5-3-2-4-6-11)9-18-26(22,23)15-14(17)19-16-21(15)7-8-25-16/h2-8,18H,9H2,1H3
InChIKeyVQICOFBMTXWRBF-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.49
Rot. Bonds5

About 6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 2738191) has the molecular formula C16H13ClN4O3S2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID2738191
Molecular FormulaC16H13ClN4O3S2
Molecular Weight408.89 g/mol
Exact Mass408.01
IUPAC Name6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1onc(-c2ccccc2)c1CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C16H13ClN4O3S2/c1-10-12(13(20-24-10)11-5-3-2-4-6-11)9-18-26(22,23)15-14(17)19-16-21(15)7-8-25-16/h2-8,18H,9H2,1H3
InChIKeyVQICOFBMTXWRBF-UHFFFAOYSA-N
XLogP3.49
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 2738191) is 6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is VQICOFBMTXWRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S2/c1-10-12(13(20-24-10)11-5-3-2-4-6-11)9-18-26(22,23)15-14(17)19-16-21(15)7-8-25-16/h2-8,18H,9H2,1H3.
What are the key properties of 6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 408.89 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 2738191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).