[(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate

C30H32N2O2S — CID 89449207

IUPAC[(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate
SMILESCCC(C)(C)c1ccc(-c2ccc(-c3snc(C)c3NC(=O)O[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H32N2O2S/c1-6-30(4,5)26-18-16-24(17-19-26)23-12-14-25(15-13-23)28-27(20(2)32-35-28)31-29(33)34-21(3)22-10-8-7-9-11-22/h7-19,21H,6H2,1-5H3,(H,31,33)/t21-/m1/s1
InChIKeyIPEWTQAIBBWHLO-OAQYLSRUSA-N
MW484.67 g/mol
LogP8.78
Rot. Bonds7

About [(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate

[(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate (PubChem CID 89449207) has the molecular formula C30H32N2O2S and a molecular weight of 484.67 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate
PubChem CID89449207
Molecular FormulaC30H32N2O2S
Molecular Weight484.67 g/mol
Exact Mass484.22
IUPAC Name[(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate
SMILESCCC(C)(C)c1ccc(-c2ccc(-c3snc(C)c3NC(=O)O[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H32N2O2S/c1-6-30(4,5)26-18-16-24(17-19-26)23-12-14-25(15-13-23)28-27(20(2)32-35-28)31-29(33)34-21(3)22-10-8-7-9-11-22/h7-19,21H,6H2,1-5H3,(H,31,33)/t21-/m1/s1
InChIKeyIPEWTQAIBBWHLO-OAQYLSRUSA-N
XLogP8.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.67
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate?
The IUPAC name of [(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate (CID 89449207) is [(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate.
What is the SMILES notation for [(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate?
The canonical SMILES for [(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate is CCC(C)(C)c1ccc(-c2ccc(-c3snc(C)c3NC(=O)O[C@H](C)c3ccccc3)cc2)cc1.
What is the InChIKey of [(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate?
The InChIKey is IPEWTQAIBBWHLO-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H32N2O2S/c1-6-30(4,5)26-18-16-24(17-19-26)23-12-14-25(15-13-23)28-27(20(2)32-35-28)31-29(33)34-21(3)22-10-8-7-9-11-22/h7-19,21H,6H2,1-5H3,(H,31,33)/t21-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate?
[(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate has a molecular weight of 484.67 g/mol, XLogP of 8.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] N-[3-methyl-5-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-1,2-thiazol-4-yl]carbamate is sourced from PubChem (CID 89449207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).