tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate

C16H19FN4O2S — CID 154666874

IUPACtert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate
SMILESC=C(CNC(=O)OC(C)(C)C)Nc1nc(-c2cccc(F)n2)cs1
InChIInChI=1S/C16H19FN4O2S/c1-10(8-18-15(22)23-16(2,3)4)19-14-21-12(9-24-14)11-6-5-7-13(17)20-11/h5-7,9H,1,8H2,2-4H3,(H,18,22)(H,19,21)
InChIKeyXRISHUUQLBPZLZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.79
Rot. Bonds5

About tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate

tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate (PubChem CID 154666874) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate
PubChem CID154666874
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Nametert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate
SMILESC=C(CNC(=O)OC(C)(C)C)Nc1nc(-c2cccc(F)n2)cs1
InChIInChI=1S/C16H19FN4O2S/c1-10(8-18-15(22)23-16(2,3)4)19-14-21-12(9-24-14)11-6-5-7-13(17)20-11/h5-7,9H,1,8H2,2-4H3,(H,18,22)(H,19,21)
InChIKeyXRISHUUQLBPZLZ-UHFFFAOYSA-N
XLogP3.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate
CID 54277213
tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169466951
tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate
CID 162743793
tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate
CID 155037533
tert-butyl N-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamothioylamino]ethyl]carbamate
CID 84560225
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 163770147
tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
CID 156819595
tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 108766685
tert-butyl N-[2-[[4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 167395449

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate (CID 154666874) is tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate is C=C(CNC(=O)OC(C)(C)C)Nc1nc(-c2cccc(F)n2)cs1.
What is the InChIKey of tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate?
The InChIKey is XRISHUUQLBPZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-10(8-18-15(22)23-16(2,3)4)19-14-21-12(9-24-14)11-6-5-7-13(17)20-11/h5-7,9H,1,8H2,2-4H3,(H,18,22)(H,19,21).
What are the key properties of tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate?
tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate has a molecular weight of 350.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]prop-2-enyl]carbamate is sourced from PubChem (CID 154666874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).