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

C7H12ClN3S — CID 80610850

IUPACN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1nnc(Cl)s1
InChIInChI=1S/C7H12ClN3S/c1-3-4-11(2)5-6-9-10-7(8)12-6/h3-5H2,1-2H3
InChIKeyMZAUOJRVIXRSBX-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.03
Rot. Bonds4

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

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine (PubChem CID 80610850) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine
PubChem CID80610850
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1nnc(Cl)s1
InChIInChI=1S/C7H12ClN3S/c1-3-4-11(2)5-6-9-10-7(8)12-6/h3-5H2,1-2H3
InChIKeyMZAUOJRVIXRSBX-UHFFFAOYSA-N
XLogP2.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine (CID 80610850) is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine is CCCN(C)Cc1nnc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine?
The InChIKey is MZAUOJRVIXRSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3S/c1-3-4-11(2)5-6-9-10-7(8)12-6/h3-5H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine?
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine has a molecular weight of 205.71 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 80610850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).