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

C12H13F2N3S — CID 65276858

IUPACN-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C12H13F2N3S/c1-2-3-11-16-12(18-17-11)15-7-8-4-5-9(13)6-10(8)14/h4-6H,2-3,7H2,1H3,(H,15,16,17)
InChIKeyLVZYSPZAOBHNOO-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.38
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65276858) has the molecular formula C12H13F2N3S and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65276858
Molecular FormulaC12H13F2N3S
Molecular Weight269.32 g/mol
Exact Mass269.08
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C12H13F2N3S/c1-2-3-11-16-12(18-17-11)15-7-8-4-5-9(13)6-10(8)14/h4-6H,2-3,7H2,1H3,(H,15,16,17)
InChIKeyLVZYSPZAOBHNOO-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65272375
N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65270936
N-[2-(4-chlorophenyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65277040
methyl 2-[(2,4-difluorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 115424235
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267667
3-[2-[(2,4-difluorophenyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487284
6-bromo-N-[(2,4-difluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 79527745
N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304955
3-[(2,4-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 64560024
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 106402539
N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66066330
2,4-difluoro-1-pentylbenzene
CID 20770613

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 65276858) is N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCc2ccc(F)cc2F)n1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is LVZYSPZAOBHNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3S/c1-2-3-11-16-12(18-17-11)15-7-8-4-5-9(13)6-10(8)14/h4-6H,2-3,7H2,1H3,(H,15,16,17).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 269.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).