tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate

C12H16N4O4S — CID 175783252

IUPACtert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@]1(c2cscn2)NC(=O)NC1=O
InChIInChI=1S/C12H16N4O4S/c1-11(2,3)20-10(19)13-5-12(7-4-21-6-14-7)8(17)15-9(18)16-12/h4,6H,5H2,1-3H3,(H,13,19)(H2,15,16,17,18)/t12-/m1/s1
InChIKeyOXKPVGZDAHIUGS-GFCCVEGCSA-N
MW312.35 g/mol
LogP0.70
Rot. Bonds3

About tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate

tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate (PubChem CID 175783252) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate
PubChem CID175783252
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Nametert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@]1(c2cscn2)NC(=O)NC1=O
InChIInChI=1S/C12H16N4O4S/c1-11(2,3)20-10(19)13-5-12(7-4-21-6-14-7)8(17)15-9(18)16-12/h4,6H,5H2,1-3H3,(H,13,19)(H2,15,16,17,18)/t12-/m1/s1
InChIKeyOXKPVGZDAHIUGS-GFCCVEGCSA-N
XLogP0.70
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[4-(3,5-dimethylimidazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
CID 156688917
tert-butyl N-[[(4R)-4-(4-methyl-1,2-oxazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
CID 175802307
tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
CID 156688901
tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate
CID 107248411
tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
CID 103389967
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 106487757
tert-butyl N-[1-[1-(1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 107250501
tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566495
tert-butyl N-[[(5R,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566497
tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 80562083
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoate;hydrochloride
CID 156702107
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
CID 7020917

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate (CID 175783252) is tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@]1(c2cscn2)NC(=O)NC1=O.
What is the InChIKey of tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate?
The InChIKey is OXKPVGZDAHIUGS-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-11(2,3)20-10(19)13-5-12(7-4-21-6-14-7)8(17)15-9(18)16-12/h4,6H,5H2,1-3H3,(H,13,19)(H2,15,16,17,18)/t12-/m1/s1.
What are the key properties of tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate?
tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate has a molecular weight of 312.35 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate is sourced from PubChem (CID 175783252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).