N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine

C10H17N3O4S — CID 102771044

IUPACN-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine
SMILESCOCCOCCCCNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H17N3O4S/c1-16-6-7-17-5-3-2-4-11-10-12-8-9(18-10)13(14)15/h8H,2-7H2,1H3,(H,11,12)
InChIKeyOJRDURWPMVUBPH-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.91
Rot. Bonds10

About N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine

N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine (PubChem CID 102771044) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine
PubChem CID102771044
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine
SMILESCOCCOCCCCNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H17N3O4S/c1-16-6-7-17-5-3-2-4-11-10-12-8-9(18-10)13(14)15/h8H,2-7H2,1H3,(H,11,12)
InChIKeyOJRDURWPMVUBPH-UHFFFAOYSA-N
XLogP1.91
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
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'}

Analyze N-[4-(2-methoxyethoxy)butyl]-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

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-(4-methylpentyl)-5-nitro-1,3-thiazol-2-amine
CID 102770556
N-(3-methylsulfinylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102771097
N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 106013018
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-[3-(2-methoxyethoxy)propyl]-5-nitropyrimidin-2-amine
CID 113434393
tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 102771164
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine
CID 102771057

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine (CID 102771044) is N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine is COCCOCCCCNc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine?
The InChIKey is OJRDURWPMVUBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-16-6-7-17-5-3-2-4-11-10-12-8-9(18-10)13(14)15/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine?
N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine has a molecular weight of 275.33 g/mol, XLogP of 1.91, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 102771044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).