N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine

C8H14N4S — CID 79085318

IUPACN-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine
SMILESCN(C)Cc1nsc(NC2CC2)n1
InChIInChI=1S/C8H14N4S/c1-12(2)5-7-10-8(13-11-7)9-6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyZNLCDAOFPZTJPD-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.17
Rot. Bonds4

About N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine

N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 79085318) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID79085318
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC NameN-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine
SMILESCN(C)Cc1nsc(NC2CC2)n1
InChIInChI=1S/C8H14N4S/c1-12(2)5-7-10-8(13-11-7)9-6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyZNLCDAOFPZTJPD-UHFFFAOYSA-N
XLogP1.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine (CID 79085318) is N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine is CN(C)Cc1nsc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZNLCDAOFPZTJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-12(2)5-7-10-8(13-11-7)9-6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 198.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79085318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).