3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide

C9H7ClN4S2 — CID 107060942

IUPAC3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2nccs2)c1Cl
InChIInChI=1S/C9H7ClN4S2/c10-6-5(7(11)12)1-2-13-8(6)16-9-14-3-4-15-9/h1-4H,(H3,11,12)
InChIKeyJIXUALFKNWMTIC-UHFFFAOYSA-N
MW270.77 g/mol
LogP2.63
Rot. Bonds3

About 3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide

3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide (PubChem CID 107060942) has the molecular formula C9H7ClN4S2 and a molecular weight of 270.77 g/mol. Its IUPAC name is 3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide
PubChem CID107060942
Molecular FormulaC9H7ClN4S2
Molecular Weight270.77 g/mol
Exact Mass269.98
IUPAC Name3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2nccs2)c1Cl
InChIInChI=1S/C9H7ClN4S2/c10-6-5(7(11)12)1-2-13-8(6)16-9-14-3-4-15-9/h1-4H,(H3,11,12)
InChIKeyJIXUALFKNWMTIC-UHFFFAOYSA-N
XLogP2.63
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide
CID 107060940
4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
CID 61218361
3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide
CID 107060943
3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide
CID 107060954
3-chloro-2-[(3-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
CID 107060952
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
CID 115474613
3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide
CID 107060208
4-[2-(1,3-thiazol-2-ylsulfanyl)ethoxy]benzenecarboximidamide
CID 61300986
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide
CID 107060421
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide (CID 107060942) is 3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Sc2nccs2)c1Cl.
What is the InChIKey of 3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide?
The InChIKey is JIXUALFKNWMTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4S2/c10-6-5(7(11)12)1-2-13-8(6)16-9-14-3-4-15-9/h1-4H,(H3,11,12).
What are the key properties of 3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide?
3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide has a molecular weight of 270.77 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide is sourced from PubChem (CID 107060942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).