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

C12H18N2O3S — CID 165465123

IUPACtert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)C(=O)c1cnsc1
InChIInChI=1S/C12H18N2O3S/c1-8(10(15)9-6-14-18-7-9)5-13-11(16)17-12(2,3)4/h6-8H,5H2,1-4H3,(H,13,16)
InChIKeyPCXRJCBPXUWBGF-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.49
Rot. Bonds4

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

tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate (PubChem CID 165465123) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate
PubChem CID165465123
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)C(=O)c1cnsc1
InChIInChI=1S/C12H18N2O3S/c1-8(10(15)9-6-14-18-7-9)5-13-11(16)17-12(2,3)4/h6-8H,5H2,1-4H3,(H,13,16)
InChIKeyPCXRJCBPXUWBGF-UHFFFAOYSA-N
XLogP2.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate
CID 165467941
tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
CID 174419381
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
(2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 90813928
tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate
CID 103387988
tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate
CID 107248411
tert-butyl N-[3-amino-2-(2-methylpropylamino)-3-oxopropyl]carbamate
CID 102730720
tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
CID 103389967
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate (CID 165465123) is tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)C(=O)c1cnsc1.
What is the InChIKey of tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate?
The InChIKey is PCXRJCBPXUWBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(10(15)9-6-14-18-7-9)5-13-11(16)17-12(2,3)4/h6-8H,5H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate?
tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate has a molecular weight of 270.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate is sourced from PubChem (CID 165465123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).