6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C13H14N4O2S2 — CID 62157865

IUPAC6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(N)nc3sccn23)c1
InChIInChI=1S/C13H14N4O2S2/c1-9-4-3-5-10(8-9)16(2)21(18,19)12-11(14)15-13-17(12)6-7-20-13/h3-8H,14H2,1-2H3
InChIKeyCXHCVZATAKLKEA-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.11
Rot. Bonds3

About 6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62157865) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62157865
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC Name6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(N)nc3sccn23)c1
InChIInChI=1S/C13H14N4O2S2/c1-9-4-3-5-10(8-9)16(2)21(18,19)12-11(14)15-13-17(12)6-7-20-13/h3-8H,14H2,1-2H3
InChIKeyCXHCVZATAKLKEA-UHFFFAOYSA-N
XLogP2.11
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62157865) is 6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1cccc(N(C)S(=O)(=O)c2c(N)nc3sccn23)c1.
What is the InChIKey of 6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is CXHCVZATAKLKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-9-4-3-5-10(8-9)16(2)21(18,19)12-11(14)15-13-17(12)6-7-20-13/h3-8H,14H2,1-2H3.
What are the key properties of 6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 322.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62157865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).