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

C10H18ClN3OS — CID 80609757

IUPACN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(Cc1nnc(Cl)s1)CC(C)C
InChIInChI=1S/C10H18ClN3OS/c1-8(2)6-14(4-5-15-3)7-9-12-13-10(11)16-9/h8H,4-7H2,1-3H3
InChIKeyQXMFDOAADWASNZ-UHFFFAOYSA-N
MW263.79 g/mol
LogP2.30
Rot. Bonds7

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

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 80609757) has the molecular formula C10H18ClN3OS and a molecular weight of 263.79 g/mol. Its IUPAC name is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID80609757
Molecular FormulaC10H18ClN3OS
Molecular Weight263.79 g/mol
Exact Mass263.09
IUPAC NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(Cc1nnc(Cl)s1)CC(C)C
InChIInChI=1S/C10H18ClN3OS/c1-8(2)6-14(4-5-15-3)7-9-12-13-10(11)16-9/h8H,4-7H2,1-3H3
InChIKeyQXMFDOAADWASNZ-UHFFFAOYSA-N
XLogP2.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylmorpholine
CID 80609178
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine
CID 80609186
4-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-3,3-dimethylmorpholine
CID 80609187
4-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methylmorpholine
CID 80609519
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 80609760
4-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine
CID 80609971
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine
CID 80609982
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 80610219
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 80610676
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 80610678
4-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-1,4-oxazepane
CID 80610681
4-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethylmorpholine
CID 80610853

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 80609757) is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCN(Cc1nnc(Cl)s1)CC(C)C.
What is the InChIKey of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is QXMFDOAADWASNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3OS/c1-8(2)6-14(4-5-15-3)7-9-12-13-10(11)16-9/h8H,4-7H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 263.79 g/mol, XLogP of 2.30, 7 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)-2-methylpropan-1-amine is sourced from PubChem (CID 80609757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).