N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H16FN3OS2 — CID 47026420

IUPACN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cs1
InChIInChI=1S/C17H16FN3OS2/c1-10-3-4-12(6-15(10)18)5-14-8-19-17(24-14)21-16(22)7-13-9-23-11(2)20-13/h3-4,6,8-9H,5,7H2,1-2H3,(H,19,21,22)
InChIKeyJIWYOMMDGVGNHB-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.13
Rot. Bonds5

About N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 47026420) has the molecular formula C17H16FN3OS2 and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID47026420
Molecular FormulaC17H16FN3OS2
Molecular Weight361.47 g/mol
Exact Mass361.07
IUPAC NameN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cs1
InChIInChI=1S/C17H16FN3OS2/c1-10-3-4-12(6-15(10)18)5-14-8-19-17(24-14)21-16(22)7-13-9-23-11(2)20-13/h3-4,6,8-9H,5,7H2,1-2H3,(H,19,21,22)
InChIKeyJIWYOMMDGVGNHB-UHFFFAOYSA-N
XLogP4.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 60509519
3-[[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074678
N-[2-[[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55852838
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286816
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119718780
3-[[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl-methylamino]propanoic acid
CID 122074680
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 56812814
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 39173185
3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 56531821
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936602
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
3-[[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074677

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 47026420) is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cs1.
What is the InChIKey of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is JIWYOMMDGVGNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS2/c1-10-3-4-12(6-15(10)18)5-14-8-19-17(24-14)21-16(22)7-13-9-23-11(2)20-13/h3-4,6,8-9H,5,7H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 47026420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).