(3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate

C19H18Cl2N2O2S — CID 142449754

IUPAC(3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate
SMILESCc1ccc(N(C(=O)Oc2ccc(Cl)c(Cl)c2)C2=NCC(C)S2)cc1C
InChIInChI=1S/C19H18Cl2N2O2S/c1-11-4-5-14(8-12(11)2)23(18-22-10-13(3)26-18)19(24)25-15-6-7-16(20)17(21)9-15/h4-9,13H,10H2,1-3H3
InChIKeyRFKAWSFRKOFIGR-UHFFFAOYSA-N
MW409.34 g/mol
LogP6.11
Rot. Bonds2

About (3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate

(3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate (PubChem CID 142449754) has the molecular formula C19H18Cl2N2O2S and a molecular weight of 409.34 g/mol. Its IUPAC name is (3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name(3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate
PubChem CID142449754
Molecular FormulaC19H18Cl2N2O2S
Molecular Weight409.34 g/mol
Exact Mass408.05
IUPAC Name(3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate
SMILESCc1ccc(N(C(=O)Oc2ccc(Cl)c(Cl)c2)C2=NCC(C)S2)cc1C
InChIInChI=1S/C19H18Cl2N2O2S/c1-11-4-5-14(8-12(11)2)23(18-22-10-13(3)26-18)19(24)25-15-6-7-16(20)17(21)9-15/h4-9,13H,10H2,1-3H3
InChIKeyRFKAWSFRKOFIGR-UHFFFAOYSA-N
XLogP6.11
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.34
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate with MolForge

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Related Compounds

3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 142449793
1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
CID 6932570
3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea
CID 142449779
(3,4-dichlorophenyl) 2-chloroacetate
CID 532462
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(3-methylphenyl)-3-phenylurea
CID 6923880
(3,4-dimethylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 19167643
(3,4-dichlorophenyl) 2-amino-2-methylpropanoate
CID 90947932
1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea
CID 40577280
(3-chloro-4-methylphenyl) carbamate
CID 18431892
3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
CID 7039411
(3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate
CID 4560735
(3,4-dichlorophenyl) 3-methylbut-2-enoate
CID 532360

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate?
The IUPAC name of (3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate (CID 142449754) is (3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for (3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for (3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate is Cc1ccc(N(C(=O)Oc2ccc(Cl)c(Cl)c2)C2=NCC(C)S2)cc1C.
What is the InChIKey of (3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate?
The InChIKey is RFKAWSFRKOFIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2S/c1-11-4-5-14(8-12(11)2)23(18-22-10-13(3)26-18)19(24)25-15-6-7-16(20)17(21)9-15/h4-9,13H,10H2,1-3H3.
What are the key properties of (3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate?
(3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate has a molecular weight of 409.34 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 142449754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).