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

C18H24N2O2S — CID 166894240

IUPACtert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate
SMILESCCC(C)(c1ccccc1)c1scnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H24N2O2S/c1-6-18(5,13-10-8-7-9-11-13)14-15(19-12-23-14)20-16(21)22-17(2,3)4/h7-12H,6H2,1-5H3,(H,20,21)
InChIKeyOJSRDZAAUIPGNH-UHFFFAOYSA-N
MW332.47 g/mol
LogP5.21
Rot. Bonds4

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

tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate (PubChem CID 166894240) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate
PubChem CID166894240
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Nametert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate
SMILESCCC(C)(c1ccccc1)c1scnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H24N2O2S/c1-6-18(5,13-10-8-7-9-11-13)14-15(19-12-23-14)20-16(21)22-17(2,3)4/h7-12H,6H2,1-5H3,(H,20,21)
InChIKeyOJSRDZAAUIPGNH-UHFFFAOYSA-N
XLogP5.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-[2-(benzylamino)-4-pyridinyl]-1,3-thiazol-4-yl]carbamate
CID 70810223
tert-butyl N-[5-[2-(3-aminophenyl)ethynyl]-1,3-thiazol-4-yl]carbamate
CID 53241858
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
CID 143731245
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
2-phenylpropan-2-yl 2,2-dimethylbutanoate
CID 18730969
ethane;5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1,3-thiazole-4-carboxylic acid
CID 144595105
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 174765561
tert-butyl N-(4-ethyl-5-phenylthiophen-3-yl)carbamate
CID 114749441
tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate
CID 140999725
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
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2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-3-phenyl-1,2,4-triazin-4-yl]acetic acid
CID 70240797
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate
CID 71144248

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate (CID 166894240) is tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate is CCC(C)(c1ccccc1)c1scnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate?
The InChIKey is OJSRDZAAUIPGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-6-18(5,13-10-8-7-9-11-13)14-15(19-12-23-14)20-16(21)22-17(2,3)4/h7-12H,6H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate?
tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate has a molecular weight of 332.47 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate is sourced from PubChem (CID 166894240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).