tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate

C9H13N2O3PS — CID 58221274

IUPACtert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CP=O)cs1
InChIInChI=1S/C9H13N2O3PS/c1-9(2,3)14-8(12)11-7-10-6(4-15-13)5-16-7/h5H,4H2,1-3H3,(H,10,11,12)
InChIKeyNZDASEUBPKZUNI-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 58221274) has the molecular formula C9H13N2O3PS and a molecular weight of 260.25 g/mol. Its IUPAC name is tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID58221274
Molecular FormulaC9H13N2O3PS
Molecular Weight260.25 g/mol
Exact Mass260.04
IUPAC Nametert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CP=O)cs1
InChIInChI=1S/C9H13N2O3PS/c1-9(2,3)14-8(12)11-7-10-6(4-15-13)5-16-7/h5H,4H2,1-3H3,(H,10,11,12)
InChIKeyNZDASEUBPKZUNI-UHFFFAOYSA-N
XLogP3.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate (CID 58221274) is tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(CP=O)cs1.
What is the InChIKey of tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is NZDASEUBPKZUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O3PS/c1-9(2,3)14-8(12)11-7-10-6(4-15-13)5-16-7/h5H,4H2,1-3H3,(H,10,11,12).
What are the key properties of tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 260.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(phosphorosomethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 58221274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).