tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate

C19H22N4O3S — CID 167421339

IUPACtert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate
SMILESCOc1ccc(CN(C(=O)OC(C)(C)C)c2ncc(-c3cn[nH]c3)s2)cc1
InChIInChI=1S/C19H22N4O3S/c1-19(2,3)26-18(24)23(12-13-5-7-15(25-4)8-6-13)17-20-11-16(27-17)14-9-21-22-10-14/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyZDJVEWUXWJVTKL-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.48
Rot. Bonds5

About tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate (PubChem CID 167421339) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate
PubChem CID167421339
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Nametert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate
SMILESCOc1ccc(CN(C(=O)OC(C)(C)C)c2ncc(-c3cn[nH]c3)s2)cc1
InChIInChI=1S/C19H22N4O3S/c1-19(2,3)26-18(24)23(12-13-5-7-15(25-4)8-6-13)17-20-11-16(27-17)14-9-21-22-10-14/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyZDJVEWUXWJVTKL-UHFFFAOYSA-N
XLogP4.48
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate
CID 58259284
ethyl 2-[5-fluoro-2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazol-4-yl]-2-methylpropanoate
CID 67378244
tert-butyl N-[4-(bromomethyl)-6-methyl-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 135169140
tert-butyl N-[(4-methoxyphenyl)methyl]-N-[4-(5-methyl-3,7-dioxo-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-1-yl)-1,3-thiazol-2-yl]carbamate
CID 162423554
tert-butyl N-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)carbamate
CID 16686776
methyl 2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methylpyridine-4-carboxylate
CID 135153900
tert-butyl N-but-3-ynyl-N-[(4-methoxyphenyl)methyl]carbamate
CID 11231573
tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate
CID 10472618
3-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,2-dimethylpropanoic acid
CID 164888535
1-[6-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylic acid
CID 123482889
tert-butyl (3R)-3-[[[5-(3-fluoroisoquinolin-6-yl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-(6-methyl-3-pyridinyl)butanoate
CID 58488237
tert-butyl N-[4-[[(2S)-2-cyano-4-oxoazetidin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 118300612

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate (CID 167421339) is tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate is COc1ccc(CN(C(=O)OC(C)(C)C)c2ncc(-c3cn[nH]c3)s2)cc1.
What is the InChIKey of tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is ZDJVEWUXWJVTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-19(2,3)26-18(24)23(12-13-5-7-15(25-4)8-6-13)17-20-11-16(27-17)14-9-21-22-10-14/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 386.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 167421339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).