tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate

C18H26FN3O2S — CID 59250289

IUPACtert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=N[C@](C)(c2cc(N)ccc2F)C(C)(C)CS1
InChIInChI=1S/C18H26FN3O2S/c1-16(2,3)24-15(23)21-14-22-18(6,17(4,5)10-25-14)12-9-11(20)7-8-13(12)19/h7-9H,10,20H2,1-6H3,(H,21,22,23)/t18-/m1/s1
InChIKeyJBSKKRZLUNVMRY-GOSISDBHSA-N
MW367.49 g/mol
LogP4.28
Rot. Bonds1

About tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate

tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate (PubChem CID 59250289) has the molecular formula C18H26FN3O2S and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate
PubChem CID59250289
Molecular FormulaC18H26FN3O2S
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC Nametert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=N[C@](C)(c2cc(N)ccc2F)C(C)(C)CS1
InChIInChI=1S/C18H26FN3O2S/c1-16(2,3)24-15(23)21-14-22-18(6,17(4,5)10-25-14)12-9-11(20)7-8-13(12)19/h7-9H,10,20H2,1-6H3,(H,21,22,23)/t18-/m1/s1
InChIKeyJBSKKRZLUNVMRY-GOSISDBHSA-N
XLogP4.28
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate (CID 59250289) is tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate is CC(C)(C)OC(=O)NC1=N[C@](C)(c2cc(N)ccc2F)C(C)(C)CS1.
What is the InChIKey of tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate?
The InChIKey is JBSKKRZLUNVMRY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26FN3O2S/c1-16(2,3)24-15(23)21-14-22-18(6,17(4,5)10-25-14)12-9-11(20)7-8-13(12)19/h7-9H,10,20H2,1-6H3,(H,21,22,23)/t18-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate?
tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate has a molecular weight of 367.49 g/mol, XLogP of 4.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-4-(5-amino-2-fluorophenyl)-4,5,5-trimethyl-6H-1,3-thiazin-2-yl]carbamate is sourced from PubChem (CID 59250289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).