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

C8H16N4S2 — CID 63736806

IUPACN,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCNCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C8H16N4S2/c1-9-5-4-6-13-8-11-10-7(14-8)12(2)3/h9H,4-6H2,1-3H3
InChIKeyVCRDJDKSFBYVJX-UHFFFAOYSA-N
MW232.38 g/mol
LogP1.31
Rot. Bonds6

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

N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 63736806) has the molecular formula C8H16N4S2 and a molecular weight of 232.38 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID63736806
Molecular FormulaC8H16N4S2
Molecular Weight232.38 g/mol
Exact Mass232.08
IUPAC NameN,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCNCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C8H16N4S2/c1-9-5-4-6-13-8-11-10-7(14-8)12(2)3/h9H,4-6H2,1-3H3
InChIKeyVCRDJDKSFBYVJX-UHFFFAOYSA-N
XLogP1.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 51.31
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

Ethylamine, 2-(5-dimethylamino-1,3,4-thiadiazol-2-ylthio)-, dihydrochloride
CID 3063682
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
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
5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737462
5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737811
N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63738033
5-[2-(aminomethyl)-3,3,3-trifluoropropyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 113808312
1-[3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-methylthiourea
CID 12788972

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 63736806) is N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine is CNCCCSc1nnc(N(C)C)s1.
What is the InChIKey of N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VCRDJDKSFBYVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S2/c1-9-5-4-6-13-8-11-10-7(14-8)12(2)3/h9H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 232.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).