tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate

C15H16FN3O3S — CID 141395789

IUPACtert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1sc(-c2ccccc2F)nc1C(N)=O
InChIInChI=1S/C15H16FN3O3S/c1-15(2,3)22-14(21)19-13-10(11(17)20)18-12(23-13)8-6-4-5-7-9(8)16/h4-7H,1-3H3,(H2,17,20)(H,19,21)
InChIKeyOLFVZQVRZWIBHU-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.40
Rot. Bonds3

About tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate

tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 141395789) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate
PubChem CID141395789
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Nametert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1sc(-c2ccccc2F)nc1C(N)=O
InChIInChI=1S/C15H16FN3O3S/c1-15(2,3)22-14(21)19-13-10(11(17)20)18-12(23-13)8-6-4-5-7-9(8)16/h4-7H,1-3H3,(H2,17,20)(H,19,21)
InChIKeyOLFVZQVRZWIBHU-UHFFFAOYSA-N
XLogP3.40
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 58182201
ethane;5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1,3-thiazole-4-carboxylic acid
CID 144595105
tert-butyl N-[4-[(5-chloro-1-methylpyrazol-4-yl)carbamoyl]-2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]carbamate
CID 86713771
2-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
CID 58182197
tert-butyl N-[2-(2-fluorophenyl)-4-[[1-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxabicyclo[3.2.1]octan-1-yl]pyrazol-4-yl]carbamoyl]-1,3-thiazol-5-yl]carbamate
CID 86713802
tert-butyl N-[4-[[1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]carbamoyl]-2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]carbamate
CID 162546107
tert-butyl N-[4-[[1-(cyclopropylmethyl)-5-[1-[(2,2,2-trifluoroacetyl)amino]-1λ3,4-iodazepan-4-yl]pyrazol-4-yl]carbamoyl]-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate
CID 162546105
methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422946
tert-butyl 2-bromo-5-(2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 133056061
tert-butyl N-[2-(2,6-difluorophenyl)-4-[[1-methyl-5-(2,3,6,7-tetrahydroazepin-1-yl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-5-yl]carbamate
CID 86680034
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate
CID 87282091

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate (CID 141395789) is tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1sc(-c2ccccc2F)nc1C(N)=O.
What is the InChIKey of tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is OLFVZQVRZWIBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-15(2,3)22-14(21)19-13-10(11(17)20)18-12(23-13)8-6-4-5-7-9(8)16/h4-7H,1-3H3,(H2,17,20)(H,19,21).
What are the key properties of tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate?
tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 337.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 141395789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).