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

C11H20ClN3OS — CID 80610678

IUPACN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1nnc(Cl)s1
InChIInChI=1S/C11H20ClN3OS/c1-4-9(5-2)15(6-7-16-3)8-10-13-14-11(12)17-10/h9H,4-8H2,1-3H3
InChIKeyGELFTHWSNHWDQV-UHFFFAOYSA-N
MW277.82 g/mol
LogP2.83
Rot. Bonds8

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

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 80610678) has the molecular formula C11H20ClN3OS and a molecular weight of 277.82 g/mol. Its IUPAC name is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine
PubChem CID80610678
Molecular FormulaC11H20ClN3OS
Molecular Weight277.82 g/mol
Exact Mass277.10
IUPAC NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1nnc(Cl)s1
InChIInChI=1S/C11H20ClN3OS/c1-4-9(5-2)15(6-7-16-3)8-10-13-14-11(12)17-10/h9H,4-8H2,1-3H3
InChIKeyGELFTHWSNHWDQV-UHFFFAOYSA-N
XLogP2.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine (CID 80610678) is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine is CCC(CC)N(CCOC)Cc1nnc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is GELFTHWSNHWDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3OS/c1-4-9(5-2)15(6-7-16-3)8-10-13-14-11(12)17-10/h9H,4-8H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 277.82 g/mol, XLogP of 2.83, 8 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-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 80610678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).