1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine

C10H9ClFN3S — CID 62537756

IUPAC1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESFc1ccc(CNCc2csnn2)cc1Cl
InChIInChI=1S/C10H9ClFN3S/c11-9-3-7(1-2-10(9)12)4-13-5-8-6-16-15-14-8/h1-3,6,13H,4-5H2
InChIKeyINZUSGQXNRWDDN-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.62
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine

1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 62537756) has the molecular formula C10H9ClFN3S and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID62537756
Molecular FormulaC10H9ClFN3S
Molecular Weight257.72 g/mol
Exact Mass257.02
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESFc1ccc(CNCc2csnn2)cc1Cl
InChIInChI=1S/C10H9ClFN3S/c11-9-3-7(1-2-10(9)12)4-13-5-8-6-16-15-14-8/h1-3,6,13H,4-5H2
InChIKeyINZUSGQXNRWDDN-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine
CID 25189824
1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
CID 47013665
N-[(3-chlorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]propan-2-amine
CID 52274516
N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 43408737
2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 43663805
2-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663827
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43663850
4-chloro-N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 43663868
2-(2-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663876
[(4-Fluorophenyl)methyl][(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663916
[(2-Fluorophenyl)methyl][(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663921
1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663961

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine (CID 62537756) is 1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine is Fc1ccc(CNCc2csnn2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is INZUSGQXNRWDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3S/c11-9-3-7(1-2-10(9)12)4-13-5-8-6-16-15-14-8/h1-3,6,13H,4-5H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 257.72 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 62537756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).