N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide

C14H13N5O3S — CID 18095326

IUPACN,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13N5O3S/c1-17(2)13(20)9-3-5-10(6-4-9)15-11-12(19(21)22)18-7-8-23-14(18)16-11/h3-8,15H,1-2H3
InChIKeyDRVDUACKQZUQOA-UHFFFAOYSA-N
MW331.36 g/mol
LogP2.75
Rot. Bonds4

About N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide

N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide (PubChem CID 18095326) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide
PubChem CID18095326
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC NameN,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13N5O3S/c1-17(2)13(20)9-3-5-10(6-4-9)15-11-12(19(21)22)18-7-8-23-14(18)16-11/h3-8,15H,1-2H3
InChIKeyDRVDUACKQZUQOA-UHFFFAOYSA-N
XLogP2.75
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
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

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-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780634
N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
CID 43388438
N-(2,3-dihydro-1H-inden-5-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780454
N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 34004832
methyl 4-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]benzoate
CID 17424151
N'-cyclopropyl-N'-methyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 47981993
5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 113244170
3-methyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butan-1-ol
CID 115650113
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
N,N-diethyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 60926523

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide (CID 18095326) is N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide is CN(C)C(=O)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1.
What is the InChIKey of N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide?
The InChIKey is DRVDUACKQZUQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-17(2)13(20)9-3-5-10(6-4-9)15-11-12(19(21)22)18-7-8-23-14(18)16-11/h3-8,15H,1-2H3.
What are the key properties of N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide?
N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide has a molecular weight of 331.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide is sourced from PubChem (CID 18095326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).