methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate

C16H19N3O3S — CID 21137651

IUPACmethyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(C)c(C(=O)Nc2c(C)cc(C)cc2C)s1
InChIInChI=1S/C16H19N3O3S/c1-8-6-9(2)12(10(3)7-8)18-14(20)13-11(4)17-15(23-13)19-16(21)22-5/h6-7H,1-5H3,(H,18,20)(H,17,19,21)
InChIKeyVXSSRLZOYFLVBO-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.81
Rot. Bonds3

About methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate

methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 21137651) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate
PubChem CID21137651
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Namemethyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(C)c(C(=O)Nc2c(C)cc(C)cc2C)s1
InChIInChI=1S/C16H19N3O3S/c1-8-6-9(2)12(10(3)7-8)18-14(20)13-11(4)17-15(23-13)19-16(21)22-5/h6-7H,1-5H3,(H,18,20)(H,17,19,21)
InChIKeyVXSSRLZOYFLVBO-UHFFFAOYSA-N
XLogP3.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate (CID 21137651) is methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(C)c(C(=O)Nc2c(C)cc(C)cc2C)s1.
What is the InChIKey of methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is VXSSRLZOYFLVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-8-6-9(2)12(10(3)7-8)18-14(20)13-11(4)17-15(23-13)19-16(21)22-5/h6-7H,1-5H3,(H,18,20)(H,17,19,21).
What are the key properties of methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate?
methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 333.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 21137651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).