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

C12H10FN3O3S2 — CID 2533048

IUPACN-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1
InChIInChI=1S/C12H10FN3O3S2/c1-7-5-20-12(14-7)21-6-11(17)15-10-4-8(16(18)19)2-3-9(10)13/h2-5H,6H2,1H3,(H,15,17)
InChIKeyKGJVNPZGEPQUFJ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.23
Rot. Bonds5

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

N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2533048) has the molecular formula C12H10FN3O3S2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2533048
Molecular FormulaC12H10FN3O3S2
Molecular Weight327.36 g/mol
Exact Mass327.01
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1
InChIInChI=1S/C12H10FN3O3S2/c1-7-5-20-12(14-7)21-6-11(17)15-10-4-8(16(18)19)2-3-9(10)13/h2-5H,6H2,1H3,(H,15,17)
InChIKeyKGJVNPZGEPQUFJ-UHFFFAOYSA-N
XLogP3.23
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2533048) is N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is KGJVNPZGEPQUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3S2/c1-7-5-20-12(14-7)21-6-11(17)15-10-4-8(16(18)19)2-3-9(10)13/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 327.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2533048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).