N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine

C9H16ClN3OS — CID 80611577

IUPACN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(Cc1nnc(Cl)s1)C(C)COC
InChIInChI=1S/C9H16ClN3OS/c1-4-13(7(2)6-14-3)5-8-11-12-9(10)15-8/h7H,4-6H2,1-3H3
InChIKeyAIKTYQIVRLIPCY-UHFFFAOYSA-N
MW249.77 g/mol
LogP2.05
Rot. Bonds6

About N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine (PubChem CID 80611577) has the molecular formula C9H16ClN3OS and a molecular weight of 249.77 g/mol. Its IUPAC name is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
PubChem CID80611577
Molecular FormulaC9H16ClN3OS
Molecular Weight249.77 g/mol
Exact Mass249.07
IUPAC NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(Cc1nnc(Cl)s1)C(C)COC
InChIInChI=1S/C9H16ClN3OS/c1-4-13(7(2)6-14-3)5-8-11-12-9(10)15-8/h7H,4-6H2,1-3H3
InChIKeyAIKTYQIVRLIPCY-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607006
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol
CID 80611576
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 80613771
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
CID 104513659
(2R)-N-ethyl-1-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 94424318
4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182120
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
CID 80664465
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine
CID 80610850
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80720719
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 80611171
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethylaniline
CID 80610847
2-chloro-5-(2-methoxyethylsulfanylmethyl)-1,3,4-thiadiazole
CID 80607692

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine?
The IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine (CID 80611577) is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine?
The canonical SMILES for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine is CCN(Cc1nnc(Cl)s1)C(C)COC.
What is the InChIKey of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine?
The InChIKey is AIKTYQIVRLIPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3OS/c1-4-13(7(2)6-14-3)5-8-11-12-9(10)15-8/h7H,4-6H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine?
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine has a molecular weight of 249.77 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine is sourced from PubChem (CID 80611577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).