N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine

C17H20N4O2S — CID 143409702

IUPACN-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1csc2nc(-c3ccccc3[N+](=O)[O-])cn12
InChIInChI=1S/C17H20N4O2S/c1-3-4-9-19(2)10-13-12-24-17-18-15(11-20(13)17)14-7-5-6-8-16(14)21(22)23/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyBHLZJXVDBRBWRY-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.20
Rot. Bonds7

About N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine

N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine (PubChem CID 143409702) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine
PubChem CID143409702
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1csc2nc(-c3ccccc3[N+](=O)[O-])cn12
InChIInChI=1S/C17H20N4O2S/c1-3-4-9-19(2)10-13-12-24-17-18-15(11-20(13)17)14-7-5-6-8-16(14)21(22)23/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyBHLZJXVDBRBWRY-UHFFFAOYSA-N
XLogP4.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
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

tert-butyl 4-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]piperazine-1-carboxylate
CID 25232525
tert-butyl formate;6-(2-nitrophenyl)-3-(2-piperazin-1-ylethyl)imidazo[2,1-b][1,3]thiazole
CID 160960674
2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline
CID 25232704
4-benzyl-1-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]piperazin-2-one
CID 59679956
tert-butyl 4-[2-[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]piperazine-1-carboxylate;2-[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanol
CID 157488923
N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine
CID 30980271
N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940095
1-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 61338780
4-(2-nitrophenyl)-N-propyl-1,3-thiazol-2-amine
CID 62942170
1-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]ethanol
CID 63379311
N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine
CID 3916899
N-methyl-1-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]methanamine
CID 62544163

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine (CID 143409702) is N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine is CCCCN(C)Cc1csc2nc(-c3ccccc3[N+](=O)[O-])cn12.
What is the InChIKey of N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine?
The InChIKey is BHLZJXVDBRBWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-3-4-9-19(2)10-13-12-24-17-18-15(11-20(13)17)14-7-5-6-8-16(14)21(22)23/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine?
N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine has a molecular weight of 344.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 143409702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).