N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine

C12H17ClN4OS — CID 106970129

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(N(C)Cc2ccc(Cl)s2)o1
InChIInChI=1S/C12H17ClN4OS/c1-4-14-8(2)11-15-16-12(18-11)17(3)7-9-5-6-10(13)19-9/h5-6,8,14H,4,7H2,1-3H3
InChIKeyMZBWOOJAGLDMRB-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.09
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106970129) has the molecular formula C12H17ClN4OS and a molecular weight of 300.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106970129
Molecular FormulaC12H17ClN4OS
Molecular Weight300.81 g/mol
Exact Mass300.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(N(C)Cc2ccc(Cl)s2)o1
InChIInChI=1S/C12H17ClN4OS/c1-4-14-8(2)11-15-16-12(18-11)17(3)7-9-5-6-10(13)19-9/h5-6,8,14H,4,7H2,1-3H3
InChIKeyMZBWOOJAGLDMRB-UHFFFAOYSA-N
XLogP3.09
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960112
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
CID 115939367
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792
N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine
CID 62281503
N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970746
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106971235
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970855
2-[benzyl-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106960309
5-[1-(ethylamino)ethyl]-N-(3-methoxyphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970478
N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106963293

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106970129) is N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(N(C)Cc2ccc(Cl)s2)o1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is MZBWOOJAGLDMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4OS/c1-4-14-8(2)11-15-16-12(18-11)17(3)7-9-5-6-10(13)19-9/h5-6,8,14H,4,7H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 300.81 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).