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

C10H10FN3S — CID 43664101

IUPAC1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESFc1cccc(CNCc2csnn2)c1
InChIInChI=1S/C10H10FN3S/c11-9-3-1-2-8(4-9)5-12-6-10-7-15-14-13-10/h1-4,7,12H,5-6H2
InChIKeyVTNTXSZJUDNYOW-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.97
Rot. Bonds4

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

1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 43664101) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID43664101
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESFc1cccc(CNCc2csnn2)c1
InChIInChI=1S/C10H10FN3S/c11-9-3-1-2-8(4-9)5-12-6-10-7-15-14-13-10/h1-4,7,12H,5-6H2
InChIKeyVTNTXSZJUDNYOW-UHFFFAOYSA-N
XLogP1.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorobenzyl)-1,2,3-thiadiazole-4-carboxamide
CID 1454957
1-ethyl-N-(thiadiazol-4-ylmethyl)-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 86787817
(4-Fluoro-2-(1,2,3-thiadiazol-4-yl)phenyl)methanamine
CID 21069873
N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57031214
N-[(2-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57131893
(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 71015547
4-[[(3R)-3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 139302679
N-(4,4-difluorobut-3-enyl)-5-phenylthiadiazole-4-carbothioamide
CID 139818235
4-[[3-(3,4-Difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 141523733
4-[1,3-Bis[(4-fluorophenyl)methyl]-1,3-diazinane-1,3-diium-2-yl]thiadiazole
CID 7221582
N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 40154592
N-[(5-chlorothiadiazol-4-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 43408737

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine (CID 43664101) is 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine is Fc1cccc(CNCc2csnn2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is VTNTXSZJUDNYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c11-9-3-1-2-8(4-9)5-12-6-10-7-15-14-13-10/h1-4,7,12H,5-6H2.
What are the key properties of 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 223.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 43664101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).