5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C9H18N4S2 — CID 63736805

IUPAC5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCNCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4S2/c1-4-10-6-5-7-14-9-12-11-8(15-9)13(2)3/h10H,4-7H2,1-3H3
InChIKeyQSHSTFIEJVKXTO-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.70
Rot. Bonds7

About 5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63736805) has the molecular formula C9H18N4S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63736805
Molecular FormulaC9H18N4S2
Molecular Weight246.40 g/mol
Exact Mass246.10
IUPAC Name5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCNCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4S2/c1-4-10-6-5-7-14-9-12-11-8(15-9)13(2)3/h10H,4-7H2,1-3H3
InChIKeyQSHSTFIEJVKXTO-UHFFFAOYSA-N
XLogP1.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-thiourea
CID 129824332
N-ethyl-N'-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-thiourea
CID 129824388
N-ethyl-N'-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-thiourea
CID 129824397
5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 3063683
5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 11971474
N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63736647
5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737142
N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63738033
1-[3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-methylthiourea
CID 12788972
2-Amino-5-diethylaminopropylthio-1,3,4-thiadiazole
CID 53772227
5-[1-(Diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 67595890
3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium
CID 7107534

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63736805) is 5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCNCCCSc1nnc(N(C)C)s1.
What is the InChIKey of 5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QSHSTFIEJVKXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S2/c1-4-10-6-5-7-14-9-12-11-8(15-9)13(2)3/h10H,4-7H2,1-3H3.
What are the key properties of 5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 246.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).