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

C12H12ClN3O3S2 — CID 60813970

IUPAC6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2c(Cl)nc3sccn23)o1
InChIInChI=1S/C12H12ClN3O3S2/c1-8-3-4-9(19-8)7-15(2)21(17,18)11-10(13)14-12-16(11)5-6-20-12/h3-6H,7H2,1-2H3
InChIKeyOWMWYQYXPZVXNC-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.77
Rot. Bonds4

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

6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 60813970) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID60813970
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC Name6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2c(Cl)nc3sccn23)o1
InChIInChI=1S/C12H12ClN3O3S2/c1-8-3-4-9(19-8)7-15(2)21(17,18)11-10(13)14-12-16(11)5-6-20-12/h3-6H,7H2,1-2H3
InChIKeyOWMWYQYXPZVXNC-UHFFFAOYSA-N
XLogP2.77
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 60813970) is 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2c(Cl)nc3sccn23)o1.
What is the InChIKey of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is OWMWYQYXPZVXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c1-8-3-4-9(19-8)7-15(2)21(17,18)11-10(13)14-12-16(11)5-6-20-12/h3-6H,7H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 345.83 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 60813970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).