N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine

C8H8N4O3S — CID 106373712

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine
SMILESCc1cnc(CNc2ncc([N+](=O)[O-])s2)o1
InChIInChI=1S/C8H8N4O3S/c1-5-2-9-6(15-5)3-10-8-11-4-7(16-8)12(13)14/h2,4H,3H2,1H3,(H,10,11)
InChIKeyCBOIDXHQYRFNRI-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.96
Rot. Bonds4

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine (PubChem CID 106373712) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine
PubChem CID106373712
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine
SMILESCc1cnc(CNc2ncc([N+](=O)[O-])s2)o1
InChIInChI=1S/C8H8N4O3S/c1-5-2-9-6(15-5)3-10-8-11-4-7(16-8)12(13)14/h2,4H,3H2,1H3,(H,10,11)
InChIKeyCBOIDXHQYRFNRI-UHFFFAOYSA-N
XLogP1.96
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.96
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'}

Analyze N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 131107697
N-(furan-3-ylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102771145
5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107143525
N-(2-methyl-2-methylsulfonylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770921
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-nitroquinolin-4-amine
CID 106373840
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-(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
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-methylsulfonyl-2-nitroaniline
CID 103718668
2,3-difluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroaniline
CID 106373830
3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline
CID 114181142

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine (CID 106373712) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine is Cc1cnc(CNc2ncc([N+](=O)[O-])s2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine?
The InChIKey is CBOIDXHQYRFNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c1-5-2-9-6(15-5)3-10-8-11-4-7(16-8)12(13)14/h2,4H,3H2,1H3,(H,10,11).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine has a molecular weight of 240.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 106373712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).