1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea

C16H19Cl2N5OS — CID 22510829

IUPAC1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea
SMILESCN(c1nnc(NC(=O)Nc2cc(Cl)ccc2Cl)s1)C1CCCCC1
InChIInChI=1S/C16H19Cl2N5OS/c1-23(11-5-3-2-4-6-11)16-22-21-15(25-16)20-14(24)19-13-9-10(17)7-8-12(13)18/h7-9,11H,2-6H2,1H3,(H2,19,20,21,24)
InChIKeyVJAXKVVJHHMYTQ-UHFFFAOYSA-N
MW400.34 g/mol
LogP5.26
Rot. Bonds4

About 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea

1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea (PubChem CID 22510829) has the molecular formula C16H19Cl2N5OS and a molecular weight of 400.34 g/mol. Its IUPAC name is 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea
PubChem CID22510829
Molecular FormulaC16H19Cl2N5OS
Molecular Weight400.34 g/mol
Exact Mass399.07
IUPAC Name1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea
SMILESCN(c1nnc(NC(=O)Nc2cc(Cl)ccc2Cl)s1)C1CCCCC1
InChIInChI=1S/C16H19Cl2N5OS/c1-23(11-5-3-2-4-6-11)16-22-21-15(25-16)20-14(24)19-13-9-10(17)7-8-12(13)18/h7-9,11H,2-6H2,1H3,(H2,19,20,21,24)
InChIKeyVJAXKVVJHHMYTQ-UHFFFAOYSA-N
XLogP5.26
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.34
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{5-[Bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-YL}-1-(3-chloro-4-methylphenyl)urea
CID 16016610
1-(2-Chloro-4-methylphenyl)-3-{5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-YL}urea
CID 16016634
3-{5-[Benzyl(methyl)amino]-1,3,4-thiadiazol-2-YL}-1-(5-chloro-2-methylphenyl)urea
CID 16016648
3-{5-[Benzyl(methyl)amino]-1,3,4-thiadiazol-2-YL}-1-(3-chloro-2-methylphenyl)urea
CID 16016652
1-(3-Chloro-2-methylphenyl)-3-{5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-YL}urea
CID 16016799
1-(3-Chloro-2-methylphenyl)-3-{5-[ethyl(phenyl)amino]-1,3,4-thiadiazol-2-YL}urea
CID 16016871
1-(3,4-Dichlorophenyl)-3-(5-piperazin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 49852833
1-(3,4-Dichlorophenyl)-3-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 49852875
1-(3,4-Dichlorophenyl)-3-[5-(piperidin-4-ylamino)-1,3,4-thiadiazol-2-yl]urea
CID 49852903
[(3-chlorophenyl)amino]-N-(1,3,4-thiadiazol-2-yl)carboxamide
CID 727853
3-{5-[Cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-YL}-1-phenylurea
CID 22510834
1-[5-[Cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
CID 22510025

Frequently Asked Questions

What is the IUPAC name of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea?
The IUPAC name of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea (CID 22510829) is 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea is CN(c1nnc(NC(=O)Nc2cc(Cl)ccc2Cl)s1)C1CCCCC1.
What is the InChIKey of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea?
The InChIKey is VJAXKVVJHHMYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5OS/c1-23(11-5-3-2-4-6-11)16-22-21-15(25-16)20-14(24)19-13-9-10(17)7-8-12(13)18/h7-9,11H,2-6H2,1H3,(H2,19,20,21,24).
What are the key properties of 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea?
1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea has a molecular weight of 400.34 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,5-dichlorophenyl)urea is sourced from PubChem (CID 22510829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).