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

C11H13FN4S — CID 65267667

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(CN)cc2F)n1
InChIInChI=1S/C11H13FN4S/c1-7-15-11(17-16-7)14-6-9-3-2-8(5-13)4-10(9)12/h2-4H,5-6,13H2,1H3,(H,14,15,16)
InChIKeyHJNQASXVNFYNTC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.06
Rot. Bonds4

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

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267667) has the molecular formula C11H13FN4S and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267667
Molecular FormulaC11H13FN4S
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(CN)cc2F)n1
InChIInChI=1S/C11H13FN4S/c1-7-15-11(17-16-7)14-6-9-3-2-8(5-13)4-10(9)12/h2-4H,5-6,13H2,1H3,(H,14,15,16)
InChIKeyHJNQASXVNFYNTC-UHFFFAOYSA-N
XLogP2.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65272375
N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 115924904
N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 115924876
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362226
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,2,4-benzotriazin-3-amine
CID 103203893
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268042
N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276858
N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319260
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide
CID 63358790
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 105357862
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 104694500

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267667) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCc2ccc(CN)cc2F)n1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HJNQASXVNFYNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S/c1-7-15-11(17-16-7)14-6-9-3-2-8(5-13)4-10(9)12/h2-4H,5-6,13H2,1H3,(H,14,15,16).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).