N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene

C11H17N3S — CID 142857319

IUPACN,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.CNc1nnc(C)s1
InChIInChI=1S/C7H10.C4H7N3S/c1-3-5-7-6-4-2;1-3-6-7-4(5-2)8-3/h3-7H,1H2,2H3;1-2H3,(H,5,7)/b6-4-,7-5-;
InChIKeyYJDUDNPVIFIHDK-ISOJEIHBSA-N
MW223.34 g/mol
LogP3.19
Rot. Bonds3

About N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene

N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene (PubChem CID 142857319) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene.

Molecular Properties

Compound NameN,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene
PubChem CID142857319
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.CNc1nnc(C)s1
InChIInChI=1S/C7H10.C4H7N3S/c1-3-5-7-6-4-2;1-3-6-7-4(5-2)8-3/h3-7H,1H2,2H3;1-2H3,(H,5,7)/b6-4-,7-5-;
InChIKeyYJDUDNPVIFIHDK-ISOJEIHBSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene?
The IUPAC name of N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene (CID 142857319) is N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene.
What is the SMILES notation for N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene?
The canonical SMILES for N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene is C=C/C=C\C=C/C.CNc1nnc(C)s1.
What is the InChIKey of N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene?
The InChIKey is YJDUDNPVIFIHDK-ISOJEIHBSA-N. The full InChI is InChI=1S/C7H10.C4H7N3S/c1-3-5-7-6-4-2;1-3-6-7-4(5-2)8-3/h3-7H,1H2,2H3;1-2H3,(H,5,7)/b6-4-,7-5-;.
What are the key properties of N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene?
N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene has a molecular weight of 223.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,3,4-thiadiazol-2-amine;(3Z,5Z)-hepta-1,3,5-triene is sourced from PubChem (CID 142857319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).