N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine

C7H13N3S — CID 65273224

IUPACN-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCNC(C)Cc1nc(C)ns1
InChIInChI=1S/C7H13N3S/c1-5(8-3)4-7-9-6(2)10-11-7/h5,8H,4H2,1-3H3
InChIKeyGHYCKZOEHNRSMS-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.00
Rot. Bonds3

About N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine

N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine (PubChem CID 65273224) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
PubChem CID65273224
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCNC(C)Cc1nc(C)ns1
InChIInChI=1S/C7H13N3S/c1-5(8-3)4-7-9-6(2)10-11-7/h5,8H,4H2,1-3H3
InChIKeyGHYCKZOEHNRSMS-UHFFFAOYSA-N
XLogP1.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole
CID 14763513
5-Amino-3-(2-aminopropyl)-1,2,4-thiadiazole
CID 83872911
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268712
N-propan-2-yl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964615
2-Fluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine
CID 84022031
3-propyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 105940300
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
1,2,4-Thiadiazole, 5-(methylamino)-3-propyl-
CID 582182
3-Methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride
CID 14763514
N-Butyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 20393662
2-(3-Methyl-[1,2,4]thiadiazol-5-yl)-ethylamine
CID 55285356

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine (CID 65273224) is N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine is CNC(C)Cc1nc(C)ns1.
What is the InChIKey of N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The InChIKey is GHYCKZOEHNRSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-5(8-3)4-7-9-6(2)10-11-7/h5,8H,4H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 65273224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).