tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid

C20H22FN3O3S — CID 150361459

IUPACtert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid
SMILESCc1csc2nc([C@H](C)N(C(=O)O)C(C)(C)C)c(-c3cccc(F)c3)c(=O)n12
InChIInChI=1S/C20H22FN3O3S/c1-11-10-28-18-22-16(12(2)24(19(26)27)20(3,4)5)15(17(25)23(11)18)13-7-6-8-14(21)9-13/h6-10,12H,1-5H3,(H,26,27)/t12-/m0/s1
InChIKeyGVUJZICXMPIUIT-LBPRGKRZSA-N
MW403.48 g/mol
LogP4.71
Rot. Bonds3

About tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid

tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid (PubChem CID 150361459) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid
PubChem CID150361459
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC Nametert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid
SMILESCc1csc2nc([C@H](C)N(C(=O)O)C(C)(C)C)c(-c3cccc(F)c3)c(=O)n12
InChIInChI=1S/C20H22FN3O3S/c1-11-10-28-18-22-16(12(2)24(19(26)27)20(3,4)5)15(17(25)23(11)18)13-7-6-8-14(21)9-13/h6-10,12H,1-5H3,(H,26,27)/t12-/m0/s1
InChIKeyGVUJZICXMPIUIT-LBPRGKRZSA-N
XLogP4.71
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid 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-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid (CID 150361459) is tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid is Cc1csc2nc([C@H](C)N(C(=O)O)C(C)(C)C)c(-c3cccc(F)c3)c(=O)n12.
What is the InChIKey of tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid?
The InChIKey is GVUJZICXMPIUIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c1-11-10-28-18-22-16(12(2)24(19(26)27)20(3,4)5)15(17(25)23(11)18)13-7-6-8-14(21)9-13/h6-10,12H,1-5H3,(H,26,27)/t12-/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid?
tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid has a molecular weight of 403.48 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid is sourced from PubChem (CID 150361459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).