N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C13H10FN5S2 — CID 99795044

IUPACN-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESFc1cccc(Nc2nnc(SCc3ncccn3)s2)c1
InChIInChI=1S/C13H10FN5S2/c14-9-3-1-4-10(7-9)17-12-18-19-13(21-12)20-8-11-15-5-2-6-16-11/h1-7H,8H2,(H,17,18)
InChIKeyLGYXDWMOMQKNRC-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.50
Rot. Bonds5

About N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 99795044) has the molecular formula C13H10FN5S2 and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID99795044
Molecular FormulaC13H10FN5S2
Molecular Weight319.39 g/mol
Exact Mass319.04
IUPAC NameN-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESFc1cccc(Nc2nnc(SCc3ncccn3)s2)c1
InChIInChI=1S/C13H10FN5S2/c14-9-3-1-4-10(7-9)17-12-18-19-13(21-12)20-8-11-15-5-2-6-16-11/h1-7H,8H2,(H,17,18)
InChIKeyLGYXDWMOMQKNRC-UHFFFAOYSA-N
XLogP3.50
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 94696801
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674150
5-(2-ethoxyethylsulfanyl)-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 8674010
N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 27748517
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 8674038
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one
CID 36791909
(2S)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile
CID 31577368
N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 8674330
N,N-diethyl-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17451366
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 8674084
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2-fluorophenyl)ethanone
CID 8674116
1-(azepan-1-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 8674048

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 99795044) is N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is Fc1cccc(Nc2nnc(SCc3ncccn3)s2)c1.
What is the InChIKey of N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LGYXDWMOMQKNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5S2/c14-9-3-1-4-10(7-9)17-12-18-19-13(21-12)20-8-11-15-5-2-6-16-11/h1-7H,8H2,(H,17,18).
What are the key properties of N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 319.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 99795044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).