tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate

C10H16N2O3S2 — CID 91120586

IUPACtert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1c(O)csc1=S
InChIInChI=1S/C10H16N2O3S2/c1-10(2,3)15-8(14)11-4-5-12-7(13)6-17-9(12)16/h6,13H,4-5H2,1-3H3,(H,11,14)
InChIKeyUQHKTZQSXDHLDT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.51
Rot. Bonds3

About tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate

tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate (PubChem CID 91120586) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate
PubChem CID91120586
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Nametert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1c(O)csc1=S
InChIInChI=1S/C10H16N2O3S2/c1-10(2,3)15-8(14)11-4-5-12-7(13)6-17-9(12)16/h6,13H,4-5H2,1-3H3,(H,11,14)
InChIKeyUQHKTZQSXDHLDT-UHFFFAOYSA-N
XLogP2.51
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2,6-dimethyl-4-sulfanylidene-1-pyridinyl)ethyl]carbamate
CID 13199803
tert-butyl N-(3,3-dihydroxypropyl)carbamate
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tert-butyl N-[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]ethyl]carbamate
CID 86853820
tert-butyl N-[2-(2-chloro-4,5-dimethylimidazol-1-yl)ethyl]carbamate
CID 139555936
methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate
CID 15889784
tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 114518206
5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]thiophene-3-carboxylic acid
CID 170456846
CID 165117112
CID 165117112
tert-butyl N-[3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropyl]carbamate
CID 165465018
tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate
CID 90700035
tert-butyl N-[2-(1,2,4-triazol-1-yl)ethyl]carbamate
CID 130752729
tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate
CID 167260928

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate (CID 91120586) is tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCn1c(O)csc1=S.
What is the InChIKey of tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate?
The InChIKey is UQHKTZQSXDHLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-10(2,3)15-8(14)11-4-5-12-7(13)6-17-9(12)16/h6,13H,4-5H2,1-3H3,(H,11,14).
What are the key properties of tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate?
tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 91120586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).