2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide

C16H13N3O5S2 — CID 7243954

IUPAC2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)c1OC
InChIInChI=1S/C16H13N3O5S2/c1-23-12-5-3-4-10(14(12)24-2)15(20)18-16-17-11(8-26-16)13-6-9(7-25-13)19(21)22/h3-8H,1-2H3,(H,17,18,20)
InChIKeyUDSRABSDNLNEKL-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.05
Rot. Bonds6

About 2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide

2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 7243954) has the molecular formula C16H13N3O5S2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID7243954
Molecular FormulaC16H13N3O5S2
Molecular Weight391.43 g/mol
Exact Mass391.03
IUPAC Name2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)c1OC
InChIInChI=1S/C16H13N3O5S2/c1-23-12-5-3-4-10(14(12)24-2)15(20)18-16-17-11(8-26-16)13-6-9(7-25-13)19(21)22/h3-8H,1-2H3,(H,17,18,20)
InChIKeyUDSRABSDNLNEKL-UHFFFAOYSA-N
XLogP4.05
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.05
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

2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581346
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate
CID 7532996
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 8702490
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 112795463
2-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 121040870
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide
CID 19219294
4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4610723
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 19582579
2,4-dimethoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 1049837
2,3,4-trimethoxy-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8914262
N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3621428

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 7243954) is 2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide is COc1cccc(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is UDSRABSDNLNEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5S2/c1-23-12-5-3-4-10(14(12)24-2)15(20)18-16-17-11(8-26-16)13-6-9(7-25-13)19(21)22/h3-8H,1-2H3,(H,17,18,20).
What are the key properties of 2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 391.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 7243954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).