N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine

C13H23N3S2 — CID 123937327

IUPACN-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine
SMILESC=C(CC(C)CC(C)c1nnc(NCC)s1)SC
InChIInChI=1S/C13H23N3S2/c1-6-14-13-16-15-12(18-13)10(3)7-9(2)8-11(4)17-5/h9-10H,4,6-8H2,1-3,5H3,(H,14,16)
InChIKeyFQESYJUKAMPMQG-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.37
Rot. Bonds8

About N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 123937327) has the molecular formula C13H23N3S2 and a molecular weight of 285.48 g/mol. Its IUPAC name is N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID123937327
Molecular FormulaC13H23N3S2
Molecular Weight285.48 g/mol
Exact Mass285.13
IUPAC NameN-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine
SMILESC=C(CC(C)CC(C)c1nnc(NCC)s1)SC
InChIInChI=1S/C13H23N3S2/c1-6-14-13-16-15-12(18-13)10(3)7-9(2)8-11(4)17-5/h9-10H,4,6-8H2,1-3,5H3,(H,14,16)
InChIKeyFQESYJUKAMPMQG-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2S,4R)-4-methyl-6-methylsulfanylhept-6-en-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118492643
N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 123243898
N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 126610936
5-cyclohexyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 82105752
N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260155
N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260873
N-(cyclohex-3-en-1-ylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260933
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106261065
N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648009
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648127
N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648149
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648453

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine (CID 123937327) is N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine is C=C(CC(C)CC(C)c1nnc(NCC)s1)SC.
What is the InChIKey of N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FQESYJUKAMPMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S2/c1-6-14-13-16-15-12(18-13)10(3)7-9(2)8-11(4)17-5/h9-10H,4,6-8H2,1-3,5H3,(H,14,16).
What are the key properties of N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 285.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 123937327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).