N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine

C8H13N3O3S — CID 102771057

IUPACN-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine
SMILESCOCC(C)(C)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H13N3O3S/c1-8(2,5-14-3)10-7-9-4-6(15-7)11(12)13/h4H,5H2,1-3H3,(H,9,10)
InChIKeyWHOQVGSUXMTQOV-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.89
Rot. Bonds5

About N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine

N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine (PubChem CID 102771057) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine
PubChem CID102771057
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine
SMILESCOCC(C)(C)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C8H13N3O3S/c1-8(2,5-14-3)10-7-9-4-6(15-7)11(12)13/h4H,5H2,1-3H3,(H,9,10)
InChIKeyWHOQVGSUXMTQOV-UHFFFAOYSA-N
XLogP1.89
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine
CID 102771044
N-(2-methyl-2-methylsulfonylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770921
N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
CID 102771025
N-(2-methylsulfanylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770820
N',N'-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770364
N-(1-methoxypentan-2-yl)-5-nitro-1,3-thiazol-2-amine
CID 102770838
tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 102771164
2,2-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)butanamide
CID 4634913
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
N-(cyclobutylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770437
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
4-methyl-1-[(5-nitro-1,3-thiazol-2-yl)amino]pentan-2-ol
CID 107153381

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine (CID 102771057) is N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine is COCC(C)(C)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine?
The InChIKey is WHOQVGSUXMTQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-8(2,5-14-3)10-7-9-4-6(15-7)11(12)13/h4H,5H2,1-3H3,(H,9,10).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine?
N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine has a molecular weight of 231.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 102771057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).