N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine

C10H14ClN5S — CID 107649352

IUPACN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine
SMILESCCCCc1nc(Cl)c(CNc2cnns2)[nH]1
InChIInChI=1S/C10H14ClN5S/c1-2-3-4-8-14-7(10(11)15-8)5-12-9-6-13-16-17-9/h6,12H,2-5H2,1H3,(H,14,15)
InChIKeyLGYOQMXYQYDJLO-UHFFFAOYSA-N
MW271.78 g/mol
LogP2.87
Rot. Bonds6

About N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine (PubChem CID 107649352) has the molecular formula C10H14ClN5S and a molecular weight of 271.78 g/mol. Its IUPAC name is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine
PubChem CID107649352
Molecular FormulaC10H14ClN5S
Molecular Weight271.78 g/mol
Exact Mass271.07
IUPAC NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine
SMILESCCCCc1nc(Cl)c(CNc2cnns2)[nH]1
InChIInChI=1S/C10H14ClN5S/c1-2-3-4-8-14-7(10(11)15-8)5-12-9-6-13-16-17-9/h6,12H,2-5H2,1H3,(H,14,15)
InChIKeyLGYOQMXYQYDJLO-UHFFFAOYSA-N
XLogP2.87
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.78
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine
CID 113471623
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719572
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline
CID 107272155
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline
CID 83073048
5-bromo-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2,4-difluoroaniline
CID 102852979
3-bromo-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-fluoroaniline
CID 104775956
4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
CID 114331440
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine
CID 83010483
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350387
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107272042
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79756670

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine (CID 107649352) is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine is CCCCc1nc(Cl)c(CNc2cnns2)[nH]1.
What is the InChIKey of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine?
The InChIKey is LGYOQMXYQYDJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5S/c1-2-3-4-8-14-7(10(11)15-8)5-12-9-6-13-16-17-9/h6,12H,2-5H2,1H3,(H,14,15).
What are the key properties of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine?
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine has a molecular weight of 271.78 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 107649352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).