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

C10H18N4S2 — CID 63736992

IUPAC5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(CNC1CC1)Sc1nnc(N(C)C)s1
InChIInChI=1S/C10H18N4S2/c1-7(6-11-8-4-5-8)15-10-13-12-9(16-10)14(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyIOPSPWKEOSVQAI-UHFFFAOYSA-N
MW258.42 g/mol
LogP1.84
Rot. Bonds6

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

5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63736992) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63736992
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC Name5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(CNC1CC1)Sc1nnc(N(C)C)s1
InChIInChI=1S/C10H18N4S2/c1-7(6-11-8-4-5-8)15-10-13-12-9(16-10)14(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyIOPSPWKEOSVQAI-UHFFFAOYSA-N
XLogP1.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63736992) is 5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CC(CNC1CC1)Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IOPSPWKEOSVQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/c1-7(6-11-8-4-5-8)15-10-13-12-9(16-10)14(2)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 258.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).