2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate

C21H21Cl2N3O2S — CID 11744465

IUPAC2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate
SMILESCc1sc(Nc2cc(NC(=O)OCC(C)C)ccc2Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21Cl2N3O2S/c1-12(2)11-28-21(27)24-16-8-9-17(23)18(10-16)25-20-26-19(13(3)29-20)14-4-6-15(22)7-5-14/h4-10,12H,11H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyOMIVWIHCMYYIAH-UHFFFAOYSA-N
MW450.39 g/mol
LogP7.37
Rot. Bonds6

About 2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate

2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate (PubChem CID 11744465) has the molecular formula C21H21Cl2N3O2S and a molecular weight of 450.39 g/mol. Its IUPAC name is 2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate
PubChem CID11744465
Molecular FormulaC21H21Cl2N3O2S
Molecular Weight450.39 g/mol
Exact Mass449.07
IUPAC Name2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate
SMILESCc1sc(Nc2cc(NC(=O)OCC(C)C)ccc2Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21Cl2N3O2S/c1-12(2)11-28-21(27)24-16-8-9-17(23)18(10-16)25-20-26-19(13(3)29-20)14-4-6-15(22)7-5-14/h4-10,12H,11H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyOMIVWIHCMYYIAH-UHFFFAOYSA-N
XLogP7.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.39
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate with MolForge

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Related Compounds

2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108747904
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CID 64786534
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
methyl 4-[[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
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CID 9094369
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 53338366
4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050
4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 118713967
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19196465
4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 23882311
N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate (CID 11744465) is 2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate is Cc1sc(Nc2cc(NC(=O)OCC(C)C)ccc2Cl)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate?
The InChIKey is OMIVWIHCMYYIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2S/c1-12(2)11-28-21(27)24-16-8-9-17(23)18(10-16)25-20-26-19(13(3)29-20)14-4-6-15(22)7-5-14/h4-10,12H,11H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate?
2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate has a molecular weight of 450.39 g/mol, XLogP of 7.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-chloro-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 11744465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).