2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide

C13H8ClN4O3S- — CID 163159029

IUPAC2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccc(N([O-])O)cc2s1)c1cccnc1Cl
InChIInChI=1S/C13H8ClN4O3S/c14-11-8(2-1-5-15-11)12(19)17-13-16-9-4-3-7(18(20)21)6-10(9)22-13/h1-6,20H,(H,16,17,19)/q-1
InChIKeySUTOSQJETLTFCJ-UHFFFAOYSA-N
MW335.75 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide

2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide (PubChem CID 163159029) has the molecular formula C13H8ClN4O3S- and a molecular weight of 335.75 g/mol. Its IUPAC name is 2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
PubChem CID163159029
Molecular FormulaC13H8ClN4O3S-
Molecular Weight335.75 g/mol
Exact Mass335.00
IUPAC Name2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccc(N([O-])O)cc2s1)c1cccnc1Cl
InChIInChI=1S/C13H8ClN4O3S/c14-11-8(2-1-5-15-11)12(19)17-13-16-9-4-3-7(18(20)21)6-10(9)22-13/h1-6,20H,(H,16,17,19)/q-1
InChIKeySUTOSQJETLTFCJ-UHFFFAOYSA-N
XLogP3.29
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 587751
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093729
2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3601899
2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 115661246
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 29277984
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide (CID 163159029) is 2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc2ccc(N([O-])O)cc2s1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is SUTOSQJETLTFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN4O3S/c14-11-8(2-1-5-15-11)12(19)17-13-16-9-4-3-7(18(20)21)6-10(9)22-13/h1-6,20H,(H,16,17,19)/q-1.
What are the key properties of 2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 335.75 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[hydroxy(oxido)amino]-1,3-benzothiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163159029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).