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

C15H15N5O3S — CID 18095042

IUPACN-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(N3CCOCC3)cc2)nc2sccn12
InChIInChI=1S/C15H15N5O3S/c21-20(22)14-13(17-15-19(14)7-10-24-15)16-11-1-3-12(4-2-11)18-5-8-23-9-6-18/h1-4,7,10,16H,5-6,8-9H2
InChIKeyRPFQPYJCTUBTGN-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.88
Rot. Bonds4

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

N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 18095042) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID18095042
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(N3CCOCC3)cc2)nc2sccn12
InChIInChI=1S/C15H15N5O3S/c21-20(22)14-13(17-15-19(14)7-10-24-15)16-11-1-3-12(4-2-11)18-5-8-23-9-6-18/h1-4,7,10,16H,5-6,8-9H2
InChIKeyRPFQPYJCTUBTGN-UHFFFAOYSA-N
XLogP2.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine
CID 43471134
5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780377
N-(2,3-dihydro-1H-inden-5-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780454
1-[3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]phenyl]-1,3-diazinan-2-one
CID 133325017
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60570114
N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 43427706
2-N-(4-morpholin-4-ylphenyl)-5-nitro-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 70648277
5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 133439352
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
N'-cyclopropyl-N'-methyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 47981993
N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60967724
5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 25330104

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 18095042) is N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(Nc2ccc(N3CCOCC3)cc2)nc2sccn12.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is RPFQPYJCTUBTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c21-20(22)14-13(17-15-19(14)7-10-24-15)16-11-1-3-12(4-2-11)18-5-8-23-9-6-18/h1-4,7,10,16H,5-6,8-9H2.
What are the key properties of N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 345.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 18095042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).