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

C18H18FN3S — CID 70975277

IUPACN-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1nc(-c2ccccc2)ns1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3S/c1-18(2,14-8-10-15(19)11-9-14)12-20-17-21-16(22-23-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyVSHVPWXVHKKVFW-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.73
Rot. Bonds5

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

N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 70975277) has the molecular formula C18H18FN3S and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID70975277
Molecular FormulaC18H18FN3S
Molecular Weight327.43 g/mol
Exact Mass327.12
IUPAC NameN-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1nc(-c2ccccc2)ns1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3S/c1-18(2,14-8-10-15(19)11-9-14)12-20-17-21-16(22-23-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyVSHVPWXVHKKVFW-UHFFFAOYSA-N
XLogP4.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-methylpropyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975068
3-[5-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide
CID 70975178
4-[5-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide
CID 70975227
5-(2-Fluorophenyl)-3-phenyl-1,2,4-thiadiazole
CID 71454338
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine
CID 70975197
N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975288
3-(2-Fluorophenyl)-5-phenyl-1,2,4-thiadiazole
CID 71461519
3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 3920694
3-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 8065271
3,5-Bis(4-t-butylphenyl)-1,2,4-thiadiazole
CID 57393682
3,5-Bis(4-butylphenyl)-1,2,4-thiadiazole
CID 57398929
Cyto4A7
CID 2810767

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 70975277) is N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine is CC(C)(CNc1nc(-c2ccccc2)ns1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is VSHVPWXVHKKVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3S/c1-18(2,14-8-10-15(19)11-9-14)12-20-17-21-16(22-23-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 327.43 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 70975277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).