4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine

C14H22N4O2S — CID 63197477

IUPAC4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nc2sccn2c1[N+](=O)[O-])C(C)C
InChIInChI=1S/C14H22N4O2S/c1-5-6-15-10(4)11(9(2)3)12-13(18(19)20)17-7-8-21-14(17)16-12/h7-11,15H,5-6H2,1-4H3
InChIKeyOHRUHDJQIWCSOO-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.43
Rot. Bonds7

About 4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine

4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine (PubChem CID 63197477) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine
PubChem CID63197477
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nc2sccn2c1[N+](=O)[O-])C(C)C
InChIInChI=1S/C14H22N4O2S/c1-5-6-15-10(4)11(9(2)3)12-13(18(19)20)17-7-8-21-14(17)16-12/h7-11,15H,5-6H2,1-4H3
InChIKeyOHRUHDJQIWCSOO-UHFFFAOYSA-N
XLogP3.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.43
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

3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)butan-2-amine
CID 63198309
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
CID 104571144
5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 30065324
ethyl 2-cyano-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)acetate
CID 104571347
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
CID 115659063
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 115578507
N,N-diethyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 60926523
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
N-[1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethyl]propan-1-amine
CID 115977393
N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine
CID 62348908
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286
N-(3-methylsulfonylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 47292439

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine?
The IUPAC name of 4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine (CID 63197477) is 4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine?
The canonical SMILES for 4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine is CCCNC(C)C(c1nc2sccn2c1[N+](=O)[O-])C(C)C.
What is the InChIKey of 4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine?
The InChIKey is OHRUHDJQIWCSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-5-6-15-10(4)11(9(2)3)12-13(18(19)20)17-7-8-21-14(17)16-12/h7-11,15H,5-6H2,1-4H3.
What are the key properties of 4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine?
4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine has a molecular weight of 310.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 63197477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).