tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate

C11H17N3O3S — CID 22916736

IUPACtert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCc1nccs1
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)17-10(16)14-6-8(15)13-7-9-12-4-5-18-9/h4-5H,6-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyAYQPCIDVPBHWQN-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.28
Rot. Bonds4

About tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate

tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate (PubChem CID 22916736) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate
PubChem CID22916736
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Nametert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCc1nccs1
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)17-10(16)14-6-8(15)13-7-9-12-4-5-18-9/h4-5H,6-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyAYQPCIDVPBHWQN-UHFFFAOYSA-N
XLogP1.28
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1,3-thiazol-5-yl)carbamate
CID 53432624
tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
CID 58874065
tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 56783013
N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
(s)-(-)-N-(t-butoxycarbonyl)-1-(2-thiazolyl)-2-methylpropylamine
CID 10956191
(Thiazol-2-ylcarbamoylmethyl)-carbamic acid tert-butyl ester
CID 25239137
tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate
CID 91301086
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
2-[(N-trifluoroacetylglycyl)amino]methylthiazole
CID 22916669
2-(N-methyl-N-trifluoroacetylaminomethylcarbonyl)aminomethylthiazole
CID 22916734
tert-butyl N-[2,2-difluoro-3-(1,3-thiazol-2-ylmethylamino)propyl]carbamate
CID 104954069
tert-butyl N-[2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 104955572

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate (CID 22916736) is tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCc1nccs1.
What is the InChIKey of tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate?
The InChIKey is AYQPCIDVPBHWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-11(2,3)17-10(16)14-6-8(15)13-7-9-12-4-5-18-9/h4-5H,6-7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate has a molecular weight of 271.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 22916736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).