4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine

C7H10N4O3S — CID 19827662

IUPAC4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine
SMILESNc1nsc([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C7H10N4O3S/c8-6-5(7(11(12)13)15-9-6)10-1-3-14-4-2-10/h1-4H2,(H2,8,9)
InChIKeyRLKNGHOVXVTGET-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.47
Rot. Bonds2

About 4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine

4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine (PubChem CID 19827662) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine
PubChem CID19827662
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine
SMILESNc1nsc([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C7H10N4O3S/c8-6-5(7(11(12)13)15-9-6)10-1-3-14-4-2-10/h1-4H2,(H2,8,9)
InChIKeyRLKNGHOVXVTGET-UHFFFAOYSA-N
XLogP0.47
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-(2-morpholin-4-yl-5-nitro-1,3-thiazol-4-yl)butan-1-amine
CID 19827638
4-(4-nitro-1,2-thiazol-5-yl)morpholine
CID 71261785
6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 7562246
4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine
CID 103381681
4-cyclopropyl-5-morpholin-4-yl-1,2-thiazol-3-amine
CID 103362101
4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine
CID 103362097
2-morpholin-4-yl-3-nitro-5-propan-2-ylaniline
CID 22752979
N,N-dimethyl-4-morpholin-4-yl-5-nitro-1H-imidazol-2-amine
CID 19827670
4-morpholin-4-yl-3,5-dinitrobenzohydrazide
CID 132593751
4-fluoro-1-(2-morpholin-4-yl-5-nitro-4-pyridinyl)pyrazol-5-amine
CID 171069173
5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline
CID 141059640
4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine
CID 3286273

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine?
The IUPAC name of 4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine (CID 19827662) is 4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine.
What is the SMILES notation for 4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine?
The canonical SMILES for 4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine is Nc1nsc([N+](=O)[O-])c1N1CCOCC1.
What is the InChIKey of 4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine?
The InChIKey is RLKNGHOVXVTGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S/c8-6-5(7(11(12)13)15-9-6)10-1-3-14-4-2-10/h1-4H2,(H2,8,9).
What are the key properties of 4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine?
4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine has a molecular weight of 230.25 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine is sourced from PubChem (CID 19827662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).