N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide

C15H11N3O4S2 — CID 2318971

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1
InChIInChI=1S/C15H11N3O4S2/c1-22-10-4-2-9(3-5-10)11-8-23-15(16-11)17-14(19)12-6-7-13(24-12)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyYJGRFJQXVVTFEQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide (PubChem CID 2318971) has the molecular formula C15H11N3O4S2 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
PubChem CID2318971
Molecular FormulaC15H11N3O4S2
Molecular Weight361.40 g/mol
Exact Mass361.02
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1
InChIInChI=1S/C15H11N3O4S2/c1-22-10-4-2-9(3-5-10)11-8-23-15(16-11)17-14(19)12-6-7-13(24-12)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyYJGRFJQXVVTFEQ-UHFFFAOYSA-N
XLogP4.04
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.04
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

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 2370425
5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 844462
N-(5-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 5207804
Thiophene-2-carboxylic acid (3-diethylamino-propyl)-[4-(4-methoxy-phenyl)-thiazol-2-yl]-amide
CID 653546
4-methoxy-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
CID 746912
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide
CID 862691
4-methoxy-N-[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 1380986
N-[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2257335
4-methoxy-N-[4-(4-nitrophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2275562
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 2324567

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide (CID 2318971) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide is COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The InChIKey is YJGRFJQXVVTFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S2/c1-22-10-4-2-9(3-5-10)11-8-23-15(16-11)17-14(19)12-6-7-13(24-12)18(20)21/h2-8H,1H3,(H,16,17,19).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 2318971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).