tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate

C14H16N2O2S — CID 174671899

IUPACtert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate
SMILESCC(C)(C)OC(=O)c1nc(N)c(-c2ccccc2)s1
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)18-13(17)12-16-11(15)10(19-12)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3
InChIKeyLUBJTVPULBYWCZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.35
Rot. Bonds2

About tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate

tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate (PubChem CID 174671899) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate
PubChem CID174671899
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nametert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate
SMILESCC(C)(C)OC(=O)c1nc(N)c(-c2ccccc2)s1
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)18-13(17)12-16-11(15)10(19-12)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3
InChIKeyLUBJTVPULBYWCZ-UHFFFAOYSA-N
XLogP3.35
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate
CID 152581473
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
ditert-butyl 6-amino-5-phenylpyridine-3,4-dicarboxylate
CID 122604116
5-phenyl-1,3-thiazole-2,4-diamine
CID 10275
tert-butyl 5-amino-4-carbonochloridoyl-1,3-thiazole-2-carboxylate
CID 154060147
tert-butyl carbamate;2-phenylquinoline
CID 175279486
ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291551
tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate
CID 133059343
CID 162139404
CID 162139404
methyl 2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 101222857
2-[(2R)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-naphthalen-2-yl-3-oxopropan-2-yl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 174392175
4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide
CID 121438076

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate?
The IUPAC name of tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate (CID 174671899) is tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate is CC(C)(C)OC(=O)c1nc(N)c(-c2ccccc2)s1.
What is the InChIKey of tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate?
The InChIKey is LUBJTVPULBYWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(2,3)18-13(17)12-16-11(15)10(19-12)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3.
What are the key properties of tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate?
tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-5-phenyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 174671899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).