2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid

C15H10ClN3O4S — CID 166127706

IUPAC2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)c(Cl)cn1
InChIInChI=1S/C15H10ClN3O4S/c1-23-12-5-8(9(16)6-17-12)13(20)19-15-18-10-3-2-7(14(21)22)4-11(10)24-15/h2-6H,1H3,(H,21,22)(H,18,19,20)
InChIKeyNVOBOCITLHSPSM-UHFFFAOYSA-N
MW363.78 g/mol
LogP3.30
Rot. Bonds4

About 2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid

2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid (PubChem CID 166127706) has the molecular formula C15H10ClN3O4S and a molecular weight of 363.78 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
PubChem CID166127706
Molecular FormulaC15H10ClN3O4S
Molecular Weight363.78 g/mol
Exact Mass363.01
IUPAC Name2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)c(Cl)cn1
InChIInChI=1S/C15H10ClN3O4S/c1-23-12-5-8(9(16)6-17-12)13(20)19-15-18-10-3-2-7(14(21)22)4-11(10)24-15/h2-6H,1H3,(H,21,22)(H,18,19,20)
InChIKeyNVOBOCITLHSPSM-UHFFFAOYSA-N
XLogP3.30
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid with MolForge

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Related Compounds

2-[(6-methoxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127689
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127482
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 79812305
2-[(4-methylthiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127667
methyl 2-[(3-chloro-4-methylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128805
2-[[6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127480
2-[[2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127462
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid (CID 166127706) is 2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid is COc1cc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)c(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is NVOBOCITLHSPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4S/c1-23-12-5-8(9(16)6-17-12)13(20)19-15-18-10-3-2-7(14(21)22)4-11(10)24-15/h2-6H,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid?
2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 363.78 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 166127706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).