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

C10H18ClN3O2S — CID 80610676

IUPACN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCCN(CCOC)Cc1nnc(Cl)s1
InChIInChI=1S/C10H18ClN3O2S/c1-15-6-3-4-14(5-7-16-2)8-9-12-13-10(11)17-9/h3-8H2,1-2H3
InChIKeyWZKLAZIMRKHDFX-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.68
Rot. Bonds9

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

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (PubChem CID 80610676) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
PubChem CID80610676
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCCN(CCOC)Cc1nnc(Cl)s1
InChIInChI=1S/C10H18ClN3O2S/c1-15-6-3-4-14(5-7-16-2)8-9-12-13-10(11)17-9/h3-8H2,1-2H3
InChIKeyWZKLAZIMRKHDFX-UHFFFAOYSA-N
XLogP1.68
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (CID 80610676) is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is COCCCN(CCOC)Cc1nnc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is WZKLAZIMRKHDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-15-6-3-4-14(5-7-16-2)8-9-12-13-10(11)17-9/h3-8H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 279.79 g/mol, XLogP of 1.68, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 80610676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).