N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine

C11H12FN3S2 — CID 66066330

IUPACN-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CSc2ccc(F)cc2)ns1
InChIInChI=1S/C11H12FN3S2/c1-2-13-11-14-10(15-17-11)7-16-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyFLJDORBVLNWIIV-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.40
Rot. Bonds5

About N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine

N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 66066330) has the molecular formula C11H12FN3S2 and a molecular weight of 269.37 g/mol. Its IUPAC name is N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
PubChem CID66066330
Molecular FormulaC11H12FN3S2
Molecular Weight269.37 g/mol
Exact Mass269.05
IUPAC NameN-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CSc2ccc(F)cc2)ns1
InChIInChI=1S/C11H12FN3S2/c1-2-13-11-14-10(15-17-11)7-16-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyFLJDORBVLNWIIV-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66087621
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268704
3-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 66144994
3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 66144604
N-tert-butyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66071099
3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine
CID 70975274
N-cyclopropyl-3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66066426
N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 66065127
3-[(3-bromophenyl)sulfanylmethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 66160242
2-[(4-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66065324
N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276858
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine (CID 66066330) is N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine is CCNc1nc(CSc2ccc(F)cc2)ns1.
What is the InChIKey of N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is FLJDORBVLNWIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S2/c1-2-13-11-14-10(15-17-11)7-16-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,14,15).
What are the key properties of N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 269.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66066330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).