N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C16H12FN7S2 — CID 27748517

IUPACN-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESFc1cccc(Nc2nnc(SCc3nnnn3-c3ccccc3)s2)c1
InChIInChI=1S/C16H12FN7S2/c17-11-5-4-6-12(9-11)18-15-20-21-16(26-15)25-10-14-19-22-23-24(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,18,20)
InChIKeyXNNRSSDNAWPLAQ-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.69
Rot. Bonds6

About N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 27748517) has the molecular formula C16H12FN7S2 and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID27748517
Molecular FormulaC16H12FN7S2
Molecular Weight385.45 g/mol
Exact Mass385.06
IUPAC NameN-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESFc1cccc(Nc2nnc(SCc3nnnn3-c3ccccc3)s2)c1
InChIInChI=1S/C16H12FN7S2/c17-11-5-4-6-12(9-11)18-15-20-21-16(26-15)25-10-14-19-22-23-24(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,18,20)
InChIKeyXNNRSSDNAWPLAQ-UHFFFAOYSA-N
XLogP3.69
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 99795044
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one
CID 36791909
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 8674038
N-(3-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 46572374
5-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 94696801
2-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide
CID 24523688
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674150
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2-fluorophenyl)ethanone
CID 8674116
3-phenyl-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazole-2-thione
CID 27715089
5-(2-ethoxyethylsulfanyl)-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 8674010
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

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 27748517) is N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Fc1cccc(Nc2nnc(SCc3nnnn3-c3ccccc3)s2)c1.
What is the InChIKey of N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XNNRSSDNAWPLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN7S2/c17-11-5-4-6-12(9-11)18-15-20-21-16(26-15)25-10-14-19-22-23-24(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,18,20).
What are the key properties of N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 385.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 27748517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).