tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid

C17H20FN3O3S — CID 70365247

IUPACtert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC(=O)c1ncsc1-c1ccccc1F)C(=O)O
InChIInChI=1S/C17H20FN3O3S/c1-17(2,3)21(16(23)24)9-8-19-15(22)13-14(25-10-20-13)11-6-4-5-7-12(11)18/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyUTJRLULZWNKDBU-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid

tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid (PubChem CID 70365247) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid
PubChem CID70365247
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Nametert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC(=O)c1ncsc1-c1ccccc1F)C(=O)O
InChIInChI=1S/C17H20FN3O3S/c1-17(2,3)21(16(23)24)9-8-19-15(22)13-14(25-10-20-13)11-6-4-5-7-12(11)18/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyUTJRLULZWNKDBU-UHFFFAOYSA-N
XLogP3.46
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]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-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid (CID 70365247) is tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid is CC(C)(C)N(CCNC(=O)c1ncsc1-c1ccccc1F)C(=O)O.
What is the InChIKey of tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid?
The InChIKey is UTJRLULZWNKDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-17(2,3)21(16(23)24)9-8-19-15(22)13-14(25-10-20-13)11-6-4-5-7-12(11)18/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid?
tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid has a molecular weight of 365.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid is sourced from PubChem (CID 70365247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).