N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

C12H8Cl2N4OS — CID 110864252

IUPACN-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nn2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)nc2s1
InChIInChI=1S/C12H8Cl2N4OS/c1-6-17-18-5-10(16-12(18)20-6)11(19)15-9-3-7(13)2-8(14)4-9/h2-5H,1H3,(H,15,19)
InChIKeyMRXQSAWARFZPAW-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.66
Rot. Bonds2

About N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110864252) has the molecular formula C12H8Cl2N4OS and a molecular weight of 327.20 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110864252
Molecular FormulaC12H8Cl2N4OS
Molecular Weight327.20 g/mol
Exact Mass325.98
IUPAC NameN-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nn2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)nc2s1
InChIInChI=1S/C12H8Cl2N4OS/c1-6-17-18-5-10(16-12(18)20-6)11(19)15-9-3-7(13)2-8(14)4-9/h2-5H,1H3,(H,15,19)
InChIKeyMRXQSAWARFZPAW-UHFFFAOYSA-N
XLogP3.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 96590591
N-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110859730
N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857588
N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110865316
2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 167752336
6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 570967
1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea
CID 110874818
N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857504
N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110858903
3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110873509
N-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864249
N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238561

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 110864252) is N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is Cc1nn2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)nc2s1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is MRXQSAWARFZPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4OS/c1-6-17-18-5-10(16-12(18)20-6)11(19)15-9-3-7(13)2-8(14)4-9/h2-5H,1H3,(H,15,19).
What are the key properties of N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 327.20 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110864252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).