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

C10H10FN3S — CID 64913971

IUPACN-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccc(F)cc2)s1
InChIInChI=1S/C10H10FN3S/c1-7-13-14-10(15-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,14)
InChIKeyOQUBUALCGGDKNC-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.60
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64913971) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64913971
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC NameN-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccc(F)cc2)s1
InChIInChI=1S/C10H10FN3S/c1-7-13-14-10(15-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,14)
InChIKeyOQUBUALCGGDKNC-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982708
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 105357866
N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133426572
N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64916170
5-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982707
5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 106418955
N-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 110826482
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64915771
N-[4-[[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]methyl]phenyl]propane-2-sulfonamide
CID 70939895
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 64913971) is N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2ccc(F)cc2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is OQUBUALCGGDKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-7-13-14-10(15-7)12-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 223.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64913971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).