N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine

C15H23N5O2S — CID 133274109

IUPACN-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
SMILESCN(CCN(C)C1CCCCC1)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C15H23N5O2S/c1-17(12-6-4-3-5-7-12)8-9-18(2)13-14(20(21)22)19-10-11-23-15(19)16-13/h10-12H,3-9H2,1-2H3
InChIKeyWXEDNOXGYPPYGD-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.00
Rot. Bonds6

About N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine

N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine (PubChem CID 133274109) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
PubChem CID133274109
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
SMILESCN(CCN(C)C1CCCCC1)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C15H23N5O2S/c1-17(12-6-4-3-5-7-12)8-9-18(2)13-14(20(21)22)19-10-11-23-15(19)16-13/h10-12H,3-9H2,1-2H3
InChIKeyWXEDNOXGYPPYGD-UHFFFAOYSA-N
XLogP3.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
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

2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid
CID 60838498
N'-cyclopropyl-N'-methyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 47981993
5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
CID 107203480
N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 86902705
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18095773
2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 47807626
7-[[cyclohexyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4238274
N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 43427706
7-[[cyclopentyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51282017
1-benzyl-3-[[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]pyrrolidin-3-ol
CID 133497094
trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
CID 94415218
5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
CID 10703065

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine (CID 133274109) is N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine is CN(CCN(C)C1CCCCC1)c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine?
The InChIKey is WXEDNOXGYPPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-17(12-6-4-3-5-7-12)8-9-18(2)13-14(20(21)22)19-10-11-23-15(19)16-13/h10-12H,3-9H2,1-2H3.
What are the key properties of N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine?
N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine has a molecular weight of 337.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 133274109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).