tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate

C11H17N3O3S — CID 485037

IUPACtert-butyl N-[1-(4-carbamoyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCC(C1=NC(=CS1)C(=O)N)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17N3O3S/c1-6(13-10(16)17-11(2,3)4)9-14-7(5-18-9)8(12)15/h5-6H,1-4H3,(H2,12,15)(H,13,16)
InChIKeyMLCJNOOEQFHVFJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.10
Rot. Bonds5

About tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate

tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate (PubChem CID 485037) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is tert-butyl N-[1-(4-carbamoyl-1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate
PubChem CID485037
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Nametert-butyl N-[1-(4-carbamoyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCC(C1=NC(=CS1)C(=O)N)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17N3O3S/c1-6(13-10(16)17-11(2,3)4)9-14-7(5-18-9)8(12)15/h5-6H,1-4H3,(H2,12,15)(H,13,16)
InChIKeyMLCJNOOEQFHVFJ-UHFFFAOYSA-N
XLogP1.10
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity330

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cobicistat metabolite M9.1
CID 69479782
Ethyl 2-[1-(tert-butoxycarbonylamino)ethyl]thiazole-4-carboxylate
CID 485035
2-(1-(((Tert-butoxy)carbonyl)amino)ethyl)-1,3-thiazole-4-carboxylic acid
CID 21634039
tert-butyl N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]ethyl]carbamate
CID 53617913
tert-butyl N-[1-[4-(hydrazinecarbonyl)thiazol-2-yl]ethyl]carbamate
CID 485036
tert-butyl N-[1-(4-carbamoylthiazol-2-yl)-2-methyl-propyl]carbamate
CID 485042
tert-butyl N-[2-methyl-1-[4-(methylcarbamoyl)thiazol-2-yl]propyl]carbamate
CID 485043
Tert-butyl 2-(4-carbamoylthiazol-2-yl)pyrrolidine-1-carboxylate
CID 485046
2-(1-Aminoethyl)-1,3-thiazole-4-carboxamide
CID 485048
tert-butyl N-[1-[4-(hydrazinecarbonyl)thiazol-2-yl]-3-methyl-butyl]carbamate
CID 485052
ethyl 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate
CID 10590340
(S)-2-(1-((tert-butoxycarbonyl)amino)-2-methylpropyl)thiazole-4-carboxylic acid
CID 10946512

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate (CID 485037) is tert-butyl N-[1-(4-carbamoyl-1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate is CC(C1=NC(=CS1)C(=O)N)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate?
The InChIKey is MLCJNOOEQFHVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-6(13-10(16)17-11(2,3)4)9-14-7(5-18-9)8(12)15/h5-6H,1-4H3,(H2,12,15)(H,13,16).
What are the key properties of tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate?
tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate has a molecular weight of 271.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 485037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).