propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate

C15H21N3O3S2 — CID 5329669

IUPACpropan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)OC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C15H21N3O3S2/c1-9(2)20-14(19)18-13-17-7-12(23-13)22-8-11-16-6-10(21-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
InChIKeyQUDNAUWPTMNNHI-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.68
Rot. Bonds5

About propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate

propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 5329669) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate
PubChem CID5329669
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Namepropan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)OC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C15H21N3O3S2/c1-9(2)20-14(19)18-13-17-7-12(23-13)22-8-11-16-6-10(21-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
InChIKeyQUDNAUWPTMNNHI-UHFFFAOYSA-N
XLogP4.68
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate (CID 5329669) is propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate is CC(C)OC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1.
What is the InChIKey of propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is QUDNAUWPTMNNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-9(2)20-14(19)18-13-17-7-12(23-13)22-8-11-16-6-10(21-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19).
What are the key properties of propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate?
propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 355.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 5329669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).