tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate

C18H23N3O4S — CID 11245874

IUPACtert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCOc1cccc(C)c1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C18H23N3O4S/c1-10-8-7-9-12(24-6)13(10)20-15(22)14-11(2)19-16(26-14)21-17(23)25-18(3,4)5/h7-9H,1-6H3,(H,20,22)(H,19,21,23)
InChIKeyFUWPWSPNEHBSEJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.37
Rot. Bonds4

About tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate (PubChem CID 11245874) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
PubChem CID11245874
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Nametert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCOc1cccc(C)c1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C18H23N3O4S/c1-10-8-7-9-12(24-6)13(10)20-15(22)14-11(2)19-16(26-14)21-17(23)25-18(3,4)5/h7-9H,1-6H3,(H,20,22)(H,19,21,23)
InChIKeyFUWPWSPNEHBSEJ-UHFFFAOYSA-N
XLogP4.37
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate (CID 11245874) is tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate is COc1cccc(C)c1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C.
What is the InChIKey of tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is FUWPWSPNEHBSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-10-8-7-9-12(24-6)13(10)20-15(22)14-11(2)19-16(26-14)21-17(23)25-18(3,4)5/h7-9H,1-6H3,(H,20,22)(H,19,21,23).
What are the key properties of tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 377.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2-methoxy-6-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 11245874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).