tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate

C16H27N3O3S — CID 110422808

IUPACtert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCc1cscn1
InChIInChI=1S/C16H27N3O3S/c1-6-11(2)13(19-15(21)22-16(3,4)5)14(20)17-8-7-12-9-23-10-18-12/h9-11,13H,6-8H2,1-5H3,(H,17,20)(H,19,21)
InChIKeyHFHSBGSEQQAZKN-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.74
Rot. Bonds7

About tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate

tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate (PubChem CID 110422808) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate
PubChem CID110422808
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Nametert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCc1cscn1
InChIInChI=1S/C16H27N3O3S/c1-6-11(2)13(19-15(21)22-16(3,4)5)14(20)17-8-7-12-9-23-10-18-12/h9-11,13H,6-8H2,1-5H3,(H,17,20)(H,19,21)
InChIKeyHFHSBGSEQQAZKN-UHFFFAOYSA-N
XLogP2.74
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
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tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate
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tert-butyl N-[(2S)-1-(but-3-enylamino)-3-methyl-1-oxopentan-2-yl]carbamate
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tert-butyl N-[1-[1-(1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
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methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoate;hydrochloride
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tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate
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tert-butyl N-[(2S)-1-(2-nitrooxyethylamino)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate (CID 110422808) is tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate is CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCc1cscn1.
What is the InChIKey of tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate?
The InChIKey is HFHSBGSEQQAZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-6-11(2)13(19-15(21)22-16(3,4)5)14(20)17-8-7-12-9-23-10-18-12/h9-11,13H,6-8H2,1-5H3,(H,17,20)(H,19,21).
What are the key properties of tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate has a molecular weight of 341.48 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate is sourced from PubChem (CID 110422808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).