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

C16H15N5O4S — CID 25366906

IUPACN-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
SMILESCc1nc(NC(=O)COc2ccccc2[N+](=O)[O-])sc1-c1nccn1C
InChIInChI=1S/C16H15N5O4S/c1-10-14(15-17-7-8-20(15)2)26-16(18-10)19-13(22)9-25-12-6-4-3-5-11(12)21(23)24/h3-8H,9H2,1-2H3,(H,18,19,22)
InChIKeyKAQGZYWXIQGQTF-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.78
Rot. Bonds6

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

N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide (PubChem CID 25366906) has the molecular formula C16H15N5O4S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
PubChem CID25366906
Molecular FormulaC16H15N5O4S
Molecular Weight373.39 g/mol
Exact Mass373.08
IUPAC NameN-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
SMILESCc1nc(NC(=O)COc2ccccc2[N+](=O)[O-])sc1-c1nccn1C
InChIInChI=1S/C16H15N5O4S/c1-10-14(15-17-7-8-20(15)2)26-16(18-10)19-13(22)9-25-12-6-4-3-5-11(12)21(23)24/h3-8H,9H2,1-2H3,(H,18,19,22)
InChIKeyKAQGZYWXIQGQTF-UHFFFAOYSA-N
XLogP2.78
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

ethyl 4-methyl-2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 23969085
2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
CID 24621134
N-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 7793934
N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 39043081
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 7916665
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2088036
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 19210100
N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 51065186
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 18854040
2-(2-nitrophenoxy)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 26157880
N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide
CID 2319869
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 24651736

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide (CID 25366906) is N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide is Cc1nc(NC(=O)COc2ccccc2[N+](=O)[O-])sc1-c1nccn1C.
What is the InChIKey of N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is KAQGZYWXIQGQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4S/c1-10-14(15-17-7-8-20(15)2)26-16(18-10)19-13(22)9-25-12-6-4-3-5-11(12)21(23)24/h3-8H,9H2,1-2H3,(H,18,19,22).
What are the key properties of N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 373.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 25366906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).