tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate

C9H12N2O3S — CID 141185862

IUPACtert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C=O)c1nccs1
InChIInChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11(6-12)7-10-4-5-15-7/h4-6H,1-3H3
InChIKeyAGEDWDDHHFTCTD-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.04
Rot. Bonds2

About tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate

tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate (PubChem CID 141185862) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate
PubChem CID141185862
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Nametert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C=O)c1nccs1
InChIInChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11(6-12)7-10-4-5-15-7/h4-6H,1-3H3
InChIKeyAGEDWDDHHFTCTD-UHFFFAOYSA-N
XLogP2.04
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-[N-(1,3-thiazol-2-yl)anilino]propanoic acid
CID 69379085
tert-butyl N-(4-bromo-3-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)carbamate
CID 118522214
2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62818927
tert-butyl 3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 66862825
tert-butyl 4-[methyl(1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 67032405
tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate
CID 175372903
tert-butyl N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
CID 91457987
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62638118
1,3-thiazol-2-ylmethyl 2,2-dimethylpropanoate
CID 68640764
tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
CID 169466870

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate (CID 141185862) is tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate is CC(C)(C)OC(=O)N(C=O)c1nccs1.
What is the InChIKey of tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is AGEDWDDHHFTCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11(6-12)7-10-4-5-15-7/h4-6H,1-3H3.
What are the key properties of tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate?
tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 228.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-formyl-N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 141185862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).