5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine

C14H14FN5S — CID 86790650

IUPAC5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1nncc1CNc1ncc(Cc2ccccc2F)s1
InChIInChI=1S/C14H14FN5S/c1-20-11(8-18-19-20)7-16-14-17-9-12(21-14)6-10-4-2-3-5-13(10)15/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyHKPOVBWIHGSAIS-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.61
Rot. Bonds5

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

5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 86790650) has the molecular formula C14H14FN5S and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID86790650
Molecular FormulaC14H14FN5S
Molecular Weight303.37 g/mol
Exact Mass303.10
IUPAC Name5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1nncc1CNc1ncc(Cc2ccccc2F)s1
InChIInChI=1S/C14H14FN5S/c1-20-11(8-18-19-20)7-16-14-17-9-12(21-14)6-10-4-2-3-5-13(10)15/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyHKPOVBWIHGSAIS-UHFFFAOYSA-N
XLogP2.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 104599790
N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine
CID 104599863
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
2-bromo-6-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 107597956
N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79771666
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119718760
2-(4-fluoroanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2239908
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093547
3-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl-methylamino]propanoic acid
CID 122093542
5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 82054770
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 86790650) is 5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine is Cn1nncc1CNc1ncc(Cc2ccccc2F)s1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HKPOVBWIHGSAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5S/c1-20-11(8-18-19-20)7-16-14-17-9-12(21-14)6-10-4-2-3-5-13(10)15/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of 5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine?
5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 303.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86790650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).