1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine

C19H17ClFN3S — CID 25189624

IUPAC1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine
SMILESFc1cccc(Cl)c1C(NCc1snnc1C1CC1)c1ccccc1
InChIInChI=1S/C19H17ClFN3S/c20-14-7-4-8-15(21)17(14)19(12-5-2-1-3-6-12)22-11-16-18(13-9-10-13)23-24-25-16/h1-8,13,19,22H,9-11H2
InChIKeyBSFYUZBGQLISFI-UHFFFAOYSA-N
MW373.88 g/mol
LogP5.09
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine

1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine (PubChem CID 25189624) has the molecular formula C19H17ClFN3S and a molecular weight of 373.88 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine
PubChem CID25189624
Molecular FormulaC19H17ClFN3S
Molecular Weight373.88 g/mol
Exact Mass373.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine
SMILESFc1cccc(Cl)c1C(NCc1snnc1C1CC1)c1ccccc1
InChIInChI=1S/C19H17ClFN3S/c20-14-7-4-8-15(21)17(14)19(12-5-2-1-3-6-12)22-11-16-18(13-9-10-13)23-24-25-16/h1-8,13,19,22H,9-11H2
InChIKeyBSFYUZBGQLISFI-UHFFFAOYSA-N
XLogP5.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine (CID 25189624) is 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine is Fc1cccc(Cl)c1C(NCc1snnc1C1CC1)c1ccccc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine?
The InChIKey is BSFYUZBGQLISFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3S/c20-14-7-4-8-15(21)17(14)19(12-5-2-1-3-6-12)22-11-16-18(13-9-10-13)23-24-25-16/h1-8,13,19,22H,9-11H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine?
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine has a molecular weight of 373.88 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 25189624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).