(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

C16H16FN5OS — CID 51592080

IUPAC(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](Cn1cncn1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C16H16FN5OS/c1-11(8-22-10-18-9-20-22)15(23)21-16-19-7-14(24-16)6-12-2-4-13(17)5-3-12/h2-5,7,9-11H,6,8H2,1H3,(H,19,21,23)/t11-/m1/s1
InChIKeyAUHIGINRCRGZIQ-LLVKDONJSA-N
MW345.40 g/mol
LogP2.74
Rot. Bonds6

About (2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 51592080) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID51592080
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC Name(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](Cn1cncn1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C16H16FN5OS/c1-11(8-22-10-18-9-20-22)15(23)21-16-19-7-14(24-16)6-12-2-4-13(17)5-3-12/h2-5,7,9-11H,6,8H2,1H3,(H,19,21,23)/t11-/m1/s1
InChIKeyAUHIGINRCRGZIQ-LLVKDONJSA-N
XLogP2.74
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 51592080) is (2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is C[C@H](Cn1cncn1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of (2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is AUHIGINRCRGZIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-11(8-22-10-18-9-20-22)15(23)21-16-19-7-14(24-16)6-12-2-4-13(17)5-3-12/h2-5,7,9-11H,6,8H2,1H3,(H,19,21,23)/t11-/m1/s1.
What are the key properties of (2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 51592080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).