5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C11H22N4OS2 — CID 63736641

IUPAC5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCCNCC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4OS2/c1-9(8-12-6-5-7-16-4)17-11-14-13-10(18-11)15(2)3/h9,12H,5-8H2,1-4H3
InChIKeyDURCXHWZNDDUSC-UHFFFAOYSA-N
MW290.46 g/mol
LogP1.71
Rot. Bonds9

About 5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63736641) has the molecular formula C11H22N4OS2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63736641
Molecular FormulaC11H22N4OS2
Molecular Weight290.46 g/mol
Exact Mass290.12
IUPAC Name5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCCNCC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4OS2/c1-9(8-12-6-5-7-16-4)17-11-14-13-10(18-11)15(2)3/h9,12H,5-8H2,1-4H3
InChIKeyDURCXHWZNDDUSC-UHFFFAOYSA-N
XLogP1.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24471908
5-[2-(4-ethoxybutylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241057
5-[2-(2-ethoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241828
N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 55242021
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 60278796
5-(2-ethoxyethylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 60601791
N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63736637
5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736646
5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736805
N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63736806
5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736820
5-[2-(2-butoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736822

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63736641) is 5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is COCCCNCC(C)Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DURCXHWZNDDUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS2/c1-9(8-12-6-5-7-16-4)17-11-14-13-10(18-11)15(2)3/h9,12H,5-8H2,1-4H3.
What are the key properties of 5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 290.46 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).