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

C8H16N4S — CID 79084999

IUPAC3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CN(C)C)ns1
InChIInChI=1S/C8H16N4S/c1-4-5-9-8-10-7(11-13-8)6-12(2)3/h4-6H2,1-3H3,(H,9,10,11)
InChIKeyMZYVKCPARABHJK-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.42
Rot. Bonds5

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

3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 79084999) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID79084999
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CN(C)C)ns1
InChIInChI=1S/C8H16N4S/c1-4-5-9-8-10-7(11-13-8)6-12(2)3/h4-6H2,1-3H3,(H,9,10,11)
InChIKeyMZYVKCPARABHJK-UHFFFAOYSA-N
XLogP1.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268414
N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine
CID 79085318
N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268531
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268704
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
CID 112708167
3-[(2-chloro-6-fluorophenyl)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269214
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512
3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268927
N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
CID 65268415
N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 106845066

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine (CID 79084999) is 3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(CN(C)C)ns1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MZYVKCPARABHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-4-5-9-8-10-7(11-13-8)6-12(2)3/h4-6H2,1-3H3,(H,9,10,11).
What are the key properties of 3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine?
3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 200.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79084999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).