N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride

C13H13ClN4O3S — CID 3074657

IUPACN-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H12N4O3S.ClH/c1-8(18)15-10-3-2-9(6-11(10)17(19)20)12-7-21-13-14-4-5-16(12)13;/h2-3,6-7H,4-5H2,1H3,(H,15,18);1H
InChIKeyUSHFKQKAOQULRU-UHFFFAOYSA-N
MW340.79 g/mol
LogP2.69
Rot. Bonds3

About N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride

N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride (PubChem CID 3074657) has the molecular formula C13H13ClN4O3S and a molecular weight of 340.79 g/mol. Its IUPAC name is N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride
PubChem CID3074657
Molecular FormulaC13H13ClN4O3S
Molecular Weight340.79 g/mol
Exact Mass340.04
IUPAC NameN-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H12N4O3S.ClH/c1-8(18)15-10-3-2-9(6-11(10)17(19)20)12-7-21-13-14-4-5-16(12)13;/h2-3,6-7H,4-5H2,1H3,(H,15,18);1H
InChIKeyUSHFKQKAOQULRU-UHFFFAOYSA-N
XLogP2.69
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride (CID 3074657) is N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-].Cl.
What is the InChIKey of N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride?
The InChIKey is USHFKQKAOQULRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S.ClH/c1-8(18)15-10-3-2-9(6-11(10)17(19)20)12-7-21-13-14-4-5-16(12)13;/h2-3,6-7H,4-5H2,1H3,(H,15,18);1H.
What are the key properties of N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride?
N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride has a molecular weight of 340.79 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide;hydrochloride is sourced from PubChem (CID 3074657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).