tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate

C10H16N4O4S — CID 102771164

IUPACtert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H16N4O4S/c1-10(2,3)18-9(15)12-5-4-11-8-13-6-7(19-8)14(16)17/h6H,4-5H2,1-3H3,(H,11,13)(H,12,15)
InChIKeyMTCZTADXIIWCIF-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.99
Rot. Bonds5

About tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate (PubChem CID 102771164) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate
PubChem CID102771164
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Nametert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H16N4O4S/c1-10(2,3)18-9(15)12-5-4-11-8-13-6-7(19-8)14(16)17/h6H,4-5H2,1-3H3,(H,11,13)(H,12,15)
InChIKeyMTCZTADXIIWCIF-UHFFFAOYSA-N
XLogP1.99
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 175095293
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,3-thiazole-5-carboxylic acid
CID 87648198
4-methyl-N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 102770508
tert-butyl N-[2-[(5-nitropyrimidin-2-yl)amino]ethyl]carbamate
CID 104626018
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
CID 102771025
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
N',N'-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770364
N-(2-methylsulfanylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770820
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine
CID 102771044
tert-butyl N-[2-(2,6-dinitroanilino)ethyl]carbamate
CID 86632919

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate (CID 102771164) is tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1ncc([N+](=O)[O-])s1.
What is the InChIKey of tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The InChIKey is MTCZTADXIIWCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-10(2,3)18-9(15)12-5-4-11-8-13-6-7(19-8)14(16)17/h6H,4-5H2,1-3H3,(H,11,13)(H,12,15).
What are the key properties of tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate has a molecular weight of 288.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 102771164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).