N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide

C14H11Cl2N3O2S — CID 45142534

IUPACN-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C(Cl)Cl)C(=O)N=C3SC=CN32)cc1
InChIInChI=1S/C14H11Cl2N3O2S/c1-8-2-4-9(5-3-8)10(20)18-14(11(15)16)12(21)17-13-19(14)6-7-22-13/h2-7,11H,1H3,(H,18,20)
InChIKeyQBQMGWUJNUCXIT-UHFFFAOYSA-N
MW356.23 g/mol
LogP2.64
Rot. Bonds3

About N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide

N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide (PubChem CID 45142534) has the molecular formula C14H11Cl2N3O2S and a molecular weight of 356.23 g/mol. Its IUPAC name is N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide
PubChem CID45142534
Molecular FormulaC14H11Cl2N3O2S
Molecular Weight356.23 g/mol
Exact Mass354.99
IUPAC NameN-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C(Cl)Cl)C(=O)N=C3SC=CN32)cc1
InChIInChI=1S/C14H11Cl2N3O2S/c1-8-2-4-9(5-3-8)10(20)18-14(11(15)16)12(21)17-13-19(14)6-7-22-13/h2-7,11H,1H3,(H,18,20)
InChIKeyQBQMGWUJNUCXIT-UHFFFAOYSA-N
XLogP2.64
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide
CID 51065050
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971
N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide
CID 23583750
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
N-[(2S,6R)-2-(bromomethyl)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]-4-methylbenzamide
CID 28886218
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide
CID 98209179
ethane;4-methylbenzohydrazide
CID 143952809
N-[(1S)-2,2-dichloro-1-phenylethyl]-4-methylbenzamide
CID 2303417
(4-methylbenzoyl)carbamic acid
CID 89120559
pyridin-3-ylmethyl-[2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 4751356

Frequently Asked Questions

What is the IUPAC name of N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide?
The IUPAC name of N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide (CID 45142534) is N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2(C(Cl)Cl)C(=O)N=C3SC=CN32)cc1.
What is the InChIKey of N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide?
The InChIKey is QBQMGWUJNUCXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2S/c1-8-2-4-9(5-3-8)10(20)18-14(11(15)16)12(21)17-13-19(14)6-7-22-13/h2-7,11H,1H3,(H,18,20).
What are the key properties of N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide?
N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide has a molecular weight of 356.23 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 45142534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).