1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea

C13H12ClN5OS — CID 110874818

IUPAC1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea
SMILESCc1nn2cc(CNC(=O)Nc3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C13H12ClN5OS/c1-8-18-19-7-11(17-13(19)21-8)6-15-12(20)16-10-4-2-9(14)3-5-10/h2-5,7H,6H2,1H3,(H2,15,16,20)
InChIKeyROGXXIBVLPAQJA-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.07
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea

1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea (PubChem CID 110874818) has the molecular formula C13H12ClN5OS and a molecular weight of 321.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea
PubChem CID110874818
Molecular FormulaC13H12ClN5OS
Molecular Weight321.79 g/mol
Exact Mass321.05
IUPAC Name1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea
SMILESCc1nn2cc(CNC(=O)Nc3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C13H12ClN5OS/c1-8-18-19-7-11(17-13(19)21-8)6-15-12(20)16-10-4-2-9(14)3-5-10/h2-5,7H,6H2,1H3,(H2,15,16,20)
InChIKeyROGXXIBVLPAQJA-UHFFFAOYSA-N
XLogP3.07
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
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
3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110873509
1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea
CID 17378582
1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 91967701
5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide
CID 110873480
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110864252
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-chlorophenyl)urea
CID 27870285
1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123297
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride
CID 47000658

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea (CID 110874818) is 1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea is Cc1nn2cc(CNC(=O)Nc3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea?
The InChIKey is ROGXXIBVLPAQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5OS/c1-8-18-19-7-11(17-13(19)21-8)6-15-12(20)16-10-4-2-9(14)3-5-10/h2-5,7H,6H2,1H3,(H2,15,16,20).
What are the key properties of 1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea has a molecular weight of 321.79 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea is sourced from PubChem (CID 110874818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).