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

C17H13N3O3S2 — CID 2574351

IUPACN-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H13N3O3S2/c21-16(18-13-7-4-8-14(9-13)20(22)23)11-25-17-19-15(10-24-17)12-5-2-1-3-6-12/h1-10H,11H2,(H,18,21)
InChIKeyDRNQKLUHLUYHPV-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.45
Rot. Bonds6

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

N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2574351) has the molecular formula C17H13N3O3S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2574351
Molecular FormulaC17H13N3O3S2
Molecular Weight371.44 g/mol
Exact Mass371.04
IUPAC NameN-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H13N3O3S2/c21-16(18-13-7-4-8-14(9-13)20(22)23)11-25-17-19-15(10-24-17)12-5-2-1-3-6-12/h1-10H,11H2,(H,18,21)
InChIKeyDRNQKLUHLUYHPV-UHFFFAOYSA-N
XLogP4.45
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.45
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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Related Compounds

2-[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 737179
2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 704426
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 737888
2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 972919
N-(2-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4783834
Baz1A-IN-1
CID 19257149
N-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-nitrophenyl]-2,2,2-trifluoroacetamide;hydrobromide
CID 44531230
N-(2-fluoro-5-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2533048
3-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 885028
2-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thio}-N-(3-nitrophenyl)acetamide
CID 1313487
2-methyl-N-[3-(2-phenyl(1,3-thiazol-4-yl))phenyl]propanamide
CID 2110573
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 7065716

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2574351) is N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)cs1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is DRNQKLUHLUYHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S2/c21-16(18-13-7-4-8-14(9-13)20(22)23)11-25-17-19-15(10-24-17)12-5-2-1-3-6-12/h1-10H,11H2,(H,18,21).
What are the key properties of N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2574351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).