phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate

C24H20N2O2S — CID 108738413

IUPACphenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C24H20N2O2S/c1-17-7-11-19(12-8-17)22-16-29-23(26-22)20-13-9-18(10-14-20)15-25-24(27)28-21-5-3-2-4-6-21/h2-14,16H,15H2,1H3,(H,25,27)
InChIKeyOHWNHCSGMBHNBY-UHFFFAOYSA-N
MW400.50 g/mol
LogP6.07
Rot. Bonds5

About phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate

phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate (PubChem CID 108738413) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
PubChem CID108738413
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Namephenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C24H20N2O2S/c1-17-7-11-19(12-8-17)22-16-29-23(26-22)20-13-9-18(10-14-20)15-25-24(27)28-21-5-3-2-4-6-21/h2-14,16H,15H2,1H3,(H,25,27)
InChIKeyOHWNHCSGMBHNBY-UHFFFAOYSA-N
XLogP6.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
ethyl [4-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108761174
butyl N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108739666
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
(4-methylphenyl) N-benzylcarbamate
CID 14292552
1,1-diethyl-3-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108738416
2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761194
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pentanamide
CID 108738364
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
4-(4-methoxyphenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-4-oxobutanamide
CID 108738448

Frequently Asked Questions

What is the IUPAC name of phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate?
The IUPAC name of phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate (CID 108738413) is phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate.
What is the SMILES notation for phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate?
The canonical SMILES for phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate is Cc1ccc(-c2csc(-c3ccc(CNC(=O)Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate?
The InChIKey is OHWNHCSGMBHNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-17-7-11-19(12-8-17)22-16-29-23(26-22)20-13-9-18(10-14-20)15-25-24(27)28-21-5-3-2-4-6-21/h2-14,16H,15H2,1H3,(H,25,27).
What are the key properties of phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate?
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate has a molecular weight of 400.50 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 108738413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).