1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine

C9H10ClN3OS — CID 106690507

IUPAC1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(-c2ccoc2Cl)s1
InChIInChI=1S/C9H10ClN3OS/c1-5(11-2)8-12-13-9(15-8)6-3-4-14-7(6)10/h3-5,11H,1-2H3
InChIKeyOLVJZAFLQZJYGP-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.73
Rot. Bonds3

About 1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine

1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine (PubChem CID 106690507) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
PubChem CID106690507
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(-c2ccoc2Cl)s1
InChIInChI=1S/C9H10ClN3OS/c1-5(11-2)8-12-13-9(15-8)6-3-4-14-7(6)10/h3-5,11H,1-2H3
InChIKeyOLVJZAFLQZJYGP-UHFFFAOYSA-N
XLogP2.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole
CID 106690457
1-[5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 81324090
1-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 82818224
N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 106690501
N-[1-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 114021897
1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 79768439
1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106684333
3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole
CID 106694860
1-[5-(3-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107101149
1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 106856382
2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 123200383
N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 113400418

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine (CID 106690507) is 1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine is CNC(C)c1nnc(-c2ccoc2Cl)s1.
What is the InChIKey of 1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine?
The InChIKey is OLVJZAFLQZJYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-5(11-2)8-12-13-9(15-8)6-3-4-14-7(6)10/h3-5,11H,1-2H3.
What are the key properties of 1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine?
1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine has a molecular weight of 243.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 106690507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).