2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid

C17H15N2O4PS — CID 177139035

IUPAC2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid
SMILESCOc1ccc2nc(C)sc2c1C(=O)Nc1cccc(P)c1C(=O)O
InChIInChI=1S/C17H15N2O4PS/c1-8-18-10-6-7-11(23-2)14(15(10)25-8)16(20)19-9-4-3-5-12(24)13(9)17(21)22/h3-7H,24H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyQRVKDMVSXZNBFP-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.06
Rot. Bonds4

About 2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid

2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid (PubChem CID 177139035) has the molecular formula C17H15N2O4PS and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid.

Molecular Properties

Compound Name2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid
PubChem CID177139035
Molecular FormulaC17H15N2O4PS
Molecular Weight374.36 g/mol
Exact Mass374.05
IUPAC Name2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid
SMILESCOc1ccc2nc(C)sc2c1C(=O)Nc1cccc(P)c1C(=O)O
InChIInChI=1S/C17H15N2O4PS/c1-8-18-10-6-7-11(23-2)14(15(10)25-8)16(20)19-9-4-3-5-12(24)13(9)17(21)22/h3-7H,24H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyQRVKDMVSXZNBFP-UHFFFAOYSA-N
XLogP3.06
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate
CID 177139361
N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide
CID 177139270
1-methoxy-2,4-dimethylheptane;5-methoxy-2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoic acid
CID 177139329
2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 63724956
N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 16644290
7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
CID 134106377
2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7193103
N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-5-methoxyphenyl]-6-methoxy-2-methyl-1,3-benzothiazole-7-carboxamide;3,5-dimethyloxane
CID 177139420
1-methoxy-2,4-dimethylheptane;6-methoxy-2-methyl-N-[5-methyl-2-[4-(trifluoromethyl)pent-4-en-2-ylcarbamoyl]phenyl]-1,3-benzothiazole-7-carboxamide
CID 177139313
N-[3-methoxy-2-(2-methoxyacetyl)phenyl]benzamide
CID 10614085
N-[2-[[(E)-3-[difluoro(phosphanyl)methyl]pent-3-enyl]carbamoyl]-4-methoxyphenyl]-6-methoxy-2-methyl-1,3-benzothiazole-7-carboxamide;1-methoxy-2,4,5-trimethylheptane
CID 177139315
N-[4-fluoro-2-[4-(trifluoromethyl)pent-4-en-2-ylcarbamoyl]phenyl]-6-methoxy-2-methyl-1,3-benzothiazole-7-carboxamide;1-methoxy-2,4-dimethylheptane
CID 177139418

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid?
The IUPAC name of 2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid (CID 177139035) is 2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid.
What is the SMILES notation for 2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid?
The canonical SMILES for 2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid is COc1ccc2nc(C)sc2c1C(=O)Nc1cccc(P)c1C(=O)O.
What is the InChIKey of 2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid?
The InChIKey is QRVKDMVSXZNBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N2O4PS/c1-8-18-10-6-7-11(23-2)14(15(10)25-8)16(20)19-9-4-3-5-12(24)13(9)17(21)22/h3-7H,24H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid?
2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid has a molecular weight of 374.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid is sourced from PubChem (CID 177139035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).