N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H15N5O3S2 — CID 53163272

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nn2c(CNS(=O)(=O)c3c(C)noc3C)c(C)nc2s1
InChIInChI=1S/C12H15N5O3S2/c1-6-10(17-12(14-6)21-9(4)15-17)5-13-22(18,19)11-7(2)16-20-8(11)3/h13H,5H2,1-4H3
InChIKeyCSMIEELPTMXHOL-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.49
Rot. Bonds4

About N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 53163272) has the molecular formula C12H15N5O3S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID53163272
Molecular FormulaC12H15N5O3S2
Molecular Weight341.42 g/mol
Exact Mass341.06
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nn2c(CNS(=O)(=O)c3c(C)noc3C)c(C)nc2s1
InChIInChI=1S/C12H15N5O3S2/c1-6-10(17-12(14-6)21-9(4)15-17)5-13-22(18,19)11-7(2)16-20-8(11)3/h13H,5H2,1-4H3
InChIKeyCSMIEELPTMXHOL-UHFFFAOYSA-N
XLogP1.49
TPSA102.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-methoxybenzenesulfonamide
CID 53163237
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide
CID 53163274
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-propylbenzenesulfonamide
CID 53163253
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 53163241
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53163147
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47359122
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 53163283
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine
CID 146145149
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
3,5-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 131917750
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
3,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 51089443

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 53163272) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1nn2c(CNS(=O)(=O)c3c(C)noc3C)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is CSMIEELPTMXHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S2/c1-6-10(17-12(14-6)21-9(4)15-17)5-13-22(18,19)11-7(2)16-20-8(11)3/h13H,5H2,1-4H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 341.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 53163272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).