N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine

C5H9N3S — CID 23303021

IUPACN,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine
SMILESCN(C)Cc1ncsn1
InChIInChI=1S/C5H9N3S/c1-8(2)3-5-6-4-9-7-5/h4H,3H2,1-2H3
InChIKeyYCVRPXOGESJTSN-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.60
Rot. Bonds2

About N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine

N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine (PubChem CID 23303021) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine
PubChem CID23303021
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC NameN,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine
SMILESCN(C)Cc1ncsn1
InChIInChI=1S/C5H9N3S/c1-8(2)3-5-6-4-9-7-5/h4H,3H2,1-2H3
InChIKeyYCVRPXOGESJTSN-UHFFFAOYSA-N
XLogP0.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine (CID 23303021) is N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine is CN(C)Cc1ncsn1.
What is the InChIKey of N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine?
The InChIKey is YCVRPXOGESJTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-8(2)3-5-6-4-9-7-5/h4H,3H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine?
N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine has a molecular weight of 143.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1,2,4-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 23303021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).