N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide

C17H13ClFN3OS2 — CID 24601926

IUPACN-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1nc(CSc2ncccc2Cl)cs1)c1ccccc1F
InChIInChI=1S/C17H13ClFN3OS2/c1-11(23)22(15-7-3-2-6-14(15)19)17-21-12(10-25-17)9-24-16-13(18)5-4-8-20-16/h2-8,10H,9H2,1H3
InChIKeyHTDHXDARYDQDKU-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.31
Rot. Bonds5

About N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide

N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 24601926) has the molecular formula C17H13ClFN3OS2 and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
PubChem CID24601926
Molecular FormulaC17H13ClFN3OS2
Molecular Weight393.90 g/mol
Exact Mass393.02
IUPAC NameN-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1nc(CSc2ncccc2Cl)cs1)c1ccccc1F
InChIInChI=1S/C17H13ClFN3OS2/c1-11(23)22(15-7-3-2-6-14(15)19)17-21-12(10-25-17)9-24-16-13(18)5-4-8-20-16/h2-8,10H,9H2,1H3
InChIKeyHTDHXDARYDQDKU-UHFFFAOYSA-N
XLogP5.31
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 40580408
N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 8788294
N-(2-fluorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
CID 2090927
N-[4-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 16585936
N-[4-[(4-chloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 38930712
N-(2,3-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728155
N-[4-[(2-acetyl-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 112819000
N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112774769
(E)-3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-(2-chlorophenyl)prop-2-enamide
CID 26574932
N-[4-[[1,3-dioxo-2-(pyridin-2-ylmethyl)isoquinolin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 25360875
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-(4-chloro-2-methylphenoxy)propanoate
CID 42985080
N-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 8833043

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide (CID 24601926) is N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide is CC(=O)N(c1nc(CSc2ncccc2Cl)cs1)c1ccccc1F.
What is the InChIKey of N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is HTDHXDARYDQDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3OS2/c1-11(23)22(15-7-3-2-6-14(15)19)17-21-12(10-25-17)9-24-16-13(18)5-4-8-20-16/h2-8,10H,9H2,1H3.
What are the key properties of N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 393.90 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 24601926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).