tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate

C15H25N3O3S — CID 11290360

IUPACtert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCCN(C(=O)c1sc(NC(=O)OC(C)(C)C)nc1C)C(C)C
InChIInChI=1S/C15H25N3O3S/c1-8-18(9(2)3)12(19)11-10(4)16-13(22-11)17-14(20)21-15(5,6)7/h9H,8H2,1-7H3,(H,16,17,20)
InChIKeySQYDIRUVLZAYMS-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.67
Rot. Bonds4

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

tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate (PubChem CID 11290360) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
PubChem CID11290360
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Nametert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCCN(C(=O)c1sc(NC(=O)OC(C)(C)C)nc1C)C(C)C
InChIInChI=1S/C15H25N3O3S/c1-8-18(9(2)3)12(19)11-10(4)16-13(22-11)17-14(20)21-15(5,6)7/h9H,8H2,1-7H3,(H,16,17,20)
InChIKeySQYDIRUVLZAYMS-UHFFFAOYSA-N
XLogP3.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate (CID 11290360) is tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate is CCN(C(=O)c1sc(NC(=O)OC(C)(C)C)nc1C)C(C)C.
What is the InChIKey of tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is SQYDIRUVLZAYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-8-18(9(2)3)12(19)11-10(4)16-13(22-11)17-14(20)21-15(5,6)7/h9H,8H2,1-7H3,(H,16,17,20).
What are the key properties of tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 327.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 11290360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).