3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide

C11H15N5O3S — CID 115578507

IUPAC3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O3S/c1-7(2)13-8(17)3-4-12-9-10(16(18)19)15-5-6-20-11(15)14-9/h5-7,12H,3-4H2,1-2H3,(H,13,17)
InChIKeyMYWHPABJJBIOIX-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.63
Rot. Bonds6

About 3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide

3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 115578507) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
PubChem CID115578507
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O3S/c1-7(2)13-8(17)3-4-12-9-10(16(18)19)15-5-6-20-11(15)14-9/h5-7,12H,3-4H2,1-2H3,(H,13,17)
InChIKeyMYWHPABJJBIOIX-UHFFFAOYSA-N
XLogP1.63
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-tert-butyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 115609150
N,N-diethyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 60926523
N-(3-methylsulfonylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 47292439
N-(3-methylsulfanylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 63965950
N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60701927
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
N-(4-methylsulfanylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 113238843
N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
CID 43388438
5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 30065324
N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103757363
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60967565
3-methoxy-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 103153798

Frequently Asked Questions

What is the IUPAC name of 3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide (CID 115578507) is 3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is MYWHPABJJBIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-7(2)13-8(17)3-4-12-9-10(16(18)19)15-5-6-20-11(15)14-9/h5-7,12H,3-4H2,1-2H3,(H,13,17).
What are the key properties of 3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide?
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 297.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115578507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).