3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

C13H8ClN3OS — CID 170725745

IUPAC3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2nc3cc(Cl)ncc3s2)c1
InChIInChI=1S/C13H8ClN3OS/c14-11-5-9-10(6-16-11)19-13(17-9)8-3-1-2-7(4-8)12(15)18/h1-6H,(H2,15,18)
InChIKeyITXJEXTYOJPNAW-UHFFFAOYSA-N
MW289.75 g/mol
LogP3.11
Rot. Bonds2

About 3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 170725745) has the molecular formula C13H8ClN3OS and a molecular weight of 289.75 g/mol. Its IUPAC name is 3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID170725745
Molecular FormulaC13H8ClN3OS
Molecular Weight289.75 g/mol
Exact Mass289.01
IUPAC Name3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2nc3cc(Cl)ncc3s2)c1
InChIInChI=1S/C13H8ClN3OS/c14-11-5-9-10(6-16-11)19-13(17-9)8-3-1-2-7(4-8)12(15)18/h1-6H,(H2,15,18)
InChIKeyITXJEXTYOJPNAW-UHFFFAOYSA-N
XLogP3.11
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-chloro-1,3-benzothiazol-2-yl)benzoic acid
CID 79528960
3-(6-amino-5-sulfanyl-1,3-benzothiazol-2-yl)benzoic acid
CID 59831039
3-(5-chloro-2-pyridinyl)benzamide
CID 91358917
3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide
CID 39826228
2-(3-fluorophenyl)-1,3-benzothiazole-6-carbonyl chloride
CID 95930246
tert-butyl 5-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 170725401
4-(1,3-benzothiazol-2-yl)benzamide
CID 28689293
3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide
CID 122133830
methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate
CID 58138527
2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 70149287
3-(5-chloro-1,3-benzothiazol-2-yl)phenol
CID 43087846
4-(5,6-dichloro-1,3-benzothiazol-2-yl)benzoyl chloride
CID 20556656

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 170725745) is 3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is NC(=O)c1cccc(-c2nc3cc(Cl)ncc3s2)c1.
What is the InChIKey of 3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is ITXJEXTYOJPNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3OS/c14-11-5-9-10(6-16-11)19-13(17-9)8-3-1-2-7(4-8)12(15)18/h1-6H,(H2,15,18).
What are the key properties of 3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 289.75 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 170725745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).