N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine

C12H13N3O3S — CID 103095277

IUPACN-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine
SMILESCOc1ccccc1CCNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C12H13N3O3S/c1-18-10-5-3-2-4-9(10)6-7-13-12-14-8-11(19-12)15(16)17/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeySYUKUPGZPACDIP-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine

N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine (PubChem CID 103095277) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine
PubChem CID103095277
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine
SMILESCOc1ccccc1CCNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C12H13N3O3S/c1-18-10-5-3-2-4-9(10)6-7-13-12-14-8-11(19-12)15(16)17/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeySYUKUPGZPACDIP-UHFFFAOYSA-N
XLogP2.71
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.71
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

2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3376734
N-[2-(5-bromothiophen-2-yl)ethyl]-5-nitro-1,3-thiazol-2-amine
CID 103095288
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 103821386
4-N-[2-(2-methoxyphenyl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 106262701
N-(3-methylsulfinylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102771097
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
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
tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 102771164
N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
CID 102771025
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
N-(cyclobutylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770437

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine (CID 103095277) is N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine is COc1ccccc1CCNc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine?
The InChIKey is SYUKUPGZPACDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-18-10-5-3-2-4-9(10)6-7-13-12-14-8-11(19-12)15(16)17/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine?
N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine has a molecular weight of 279.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 103095277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).