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

C10H18ClN3O2S — CID 80610219

IUPACN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1nnc(Cl)s1)C(C)COC
InChIInChI=1S/C10H18ClN3O2S/c1-8(7-16-3)14(4-5-15-2)6-9-12-13-10(11)17-9/h8H,4-7H2,1-3H3
InChIKeyAOUHBUIZOLFCNT-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.67
Rot. Bonds8

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

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine (PubChem CID 80610219) 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]-1-methoxy-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
PubChem CID80610219
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1nnc(Cl)s1)C(C)COC
InChIInChI=1S/C10H18ClN3O2S/c1-8(7-16-3)14(4-5-15-2)6-9-12-13-10(11)17-9/h8H,4-7H2,1-3H3
InChIKeyAOUHBUIZOLFCNT-UHFFFAOYSA-N
XLogP1.67
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine (CID 80610219) is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine is COCCN(Cc1nnc(Cl)s1)C(C)COC.
What is the InChIKey of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is AOUHBUIZOLFCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-8(7-16-3)14(4-5-15-2)6-9-12-13-10(11)17-9/h8H,4-7H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 279.79 g/mol, XLogP of 1.67, 8 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]-1-methoxy-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 80610219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).