N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C14H14N4O2S — CID 60967724

IUPACN-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1ccc(C(C)Nc2nc3sccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N4O2S/c1-9-3-5-11(6-4-9)10(2)15-12-13(18(19)20)17-7-8-21-14(17)16-12/h3-8,10,15H,1-2H3
InChIKeyWRCSXVCBYUOGMR-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.79
Rot. Bonds4

About N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 60967724) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID60967724
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1ccc(C(C)Nc2nc3sccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N4O2S/c1-9-3-5-11(6-4-9)10(2)15-12-13(18(19)20)17-7-8-21-14(17)16-12/h3-8,10,15H,1-2H3
InChIKeyWRCSXVCBYUOGMR-UHFFFAOYSA-N
XLogP3.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.79
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-[1-(4-bromophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60677788
N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60677982
5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 30065324
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780634
2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol
CID 43393095
4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
CID 102560402
1-N-benzyl-1-N-methyl-2-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,2-diamine
CID 133435883
N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 51432873
5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780377
4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine
CID 43471134
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60967565

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 60967724) is N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is Cc1ccc(C(C)Nc2nc3sccn3c2[N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is WRCSXVCBYUOGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9-3-5-11(6-4-9)10(2)15-12-13(18(19)20)17-7-8-21-14(17)16-12/h3-8,10,15H,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 302.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 60967724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).