tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate

C15H25N3O3S — CID 91457987

IUPACtert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(=O)N(c1nccs1)C(C)C
InChIInChI=1S/C15H25N3O3S/c1-7-11(17-14(20)21-15(4,5)6)12(19)18(10(2)3)13-16-8-9-22-13/h8-11H,7H2,1-6H3,(H,17,20)
InChIKeyMJPRNOVCSRPEQT-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.19
Rot. Bonds5

About tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate

tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate (PubChem CID 91457987) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
PubChem CID91457987
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Nametert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(=O)N(c1nccs1)C(C)C
InChIInChI=1S/C15H25N3O3S/c1-7-11(17-14(20)21-15(4,5)6)12(19)18(10(2)3)13-16-8-9-22-13/h8-11H,7H2,1-6H3,(H,17,20)
InChIKeyMJPRNOVCSRPEQT-UHFFFAOYSA-N
XLogP3.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide
CID 91309664
tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate
CID 165471034
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide
CID 91110101
tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate
CID 107250464
tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 22843594
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
CID 162513184
CID 162513184
tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate
CID 70144327
2-(pyrimidin-2-ylamino)ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 95281054
tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate
CID 107237311
tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate
CID 95174235

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate (CID 91457987) is tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate is CCC(NC(=O)OC(C)(C)C)C(=O)N(c1nccs1)C(C)C.
What is the InChIKey of tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate?
The InChIKey is MJPRNOVCSRPEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-7-11(17-14(20)21-15(4,5)6)12(19)18(10(2)3)13-16-8-9-22-13/h8-11H,7H2,1-6H3,(H,17,20).
What are the key properties of tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate has a molecular weight of 327.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 91457987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).