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

C10H11FN4S — CID 21069983

IUPACN-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cc(F)ccc2CN)s1
InChIInChI=1S/C10H11FN4S/c1-6-14-15-10(16-6)13-9-4-8(11)3-2-7(9)5-12/h2-4H,5,12H2,1H3,(H,13,15)
InChIKeyMQKZELJIOQOCAT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.19
Rot. Bonds3

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

N-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 21069983) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID21069983
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC NameN-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cc(F)ccc2CN)s1
InChIInChI=1S/C10H11FN4S/c1-6-14-15-10(16-6)13-9-4-8(11)3-2-7(9)5-12/h2-4H,5,12H2,1H3,(H,13,15)
InChIKeyMQKZELJIOQOCAT-UHFFFAOYSA-N
XLogP2.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-diphenyl-1,3,4-thiadiazol-2-amine
CID 5270835
5-Methyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 762828
N2-(2-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 2730024
5-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 5270824
N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 2730020
N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 2114326
N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
CID 2392034
5-(4-aminophenyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 2727816
5-(2-aminophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 76309112
1-(5-Ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 6621602
N-(4-fluorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine
CID 5270838
1,3,4-Thiadiazol-2-amine, N-(3-chloro-2-methylphenyl)-5-methyl-
CID 596907

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 21069983) is N-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(Nc2cc(F)ccc2CN)s1.
What is the InChIKey of N-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MQKZELJIOQOCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-6-14-15-10(16-6)13-9-4-8(11)3-2-7(9)5-12/h2-4H,5,12H2,1H3,(H,13,15).
What are the key properties of N-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-fluorophenyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 21069983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).