N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide

C14H9F2N5O3S — CID 118732531

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C14H9F2N5O3S/c15-9-2-1-8(5-10(9)16)11-7-25-13(18-11)19-12(22)6-20-4-3-17-14(20)21(23)24/h1-5,7H,6H2,(H,18,19,22)
InChIKeyGOABCPJBDQUQIS-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.83
Rot. Bonds5

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide (PubChem CID 118732531) has the molecular formula C14H9F2N5O3S and a molecular weight of 365.32 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide
PubChem CID118732531
Molecular FormulaC14H9F2N5O3S
Molecular Weight365.32 g/mol
Exact Mass365.04
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C14H9F2N5O3S/c15-9-2-1-8(5-10(9)16)11-7-25-13(18-11)19-12(22)6-20-4-3-17-14(20)21(23)24/h1-5,7H,6H2,(H,18,19,22)
InChIKeyGOABCPJBDQUQIS-UHFFFAOYSA-N
XLogP2.83
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 87424153
2-(3,4-difluorophenyl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 7737059
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide
CID 46969122
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
CID 44603053
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 8801401
2-(4-acetamidophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26301328
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55357811
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 31041636
(Z)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 16910398
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26176224

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide (CID 118732531) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide is O=C(Cn1ccnc1[N+](=O)[O-])Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide?
The InChIKey is GOABCPJBDQUQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5O3S/c15-9-2-1-8(5-10(9)16)11-7-25-13(18-11)19-12(22)6-20-4-3-17-14(20)21(23)24/h1-5,7H,6H2,(H,18,19,22).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide has a molecular weight of 365.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 118732531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).