4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide

C10H9N3S2 — CID 61218361

IUPAC4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nccs2)cc1
InChIInChI=1S/C10H9N3S2/c11-9(12)7-1-3-8(4-2-7)15-10-13-5-6-14-10/h1-6H,(H3,11,12)
InChIKeyJYRQOYZTUBARSP-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.58
Rot. Bonds3

About 4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide

4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 61218361) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID61218361
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nccs2)cc1
InChIInChI=1S/C10H9N3S2/c11-9(12)7-1-3-8(4-2-7)15-10-13-5-6-14-10/h1-6H,(H3,11,12)
InChIKeyJYRQOYZTUBARSP-UHFFFAOYSA-N
XLogP2.58
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[2-(1,3-thiazol-2-ylsulfanyl)ethoxy]benzenecarboximidamide
CID 61300986
3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107060942
2-(4-methylphenyl)sulfanyl-1,3-thiazole
CID 18712779
4-pyrimidin-4-ylsulfanylbenzenecarboximidamide
CID 63697461
4-(1,3-thiazol-2-yloxy)benzenecarboximidamide
CID 57451678
2-phenylsulfanyl-1,3-thiazole
CID 606073
4-(1,3-thiazol-2-ylmethylamino)benzenecarboximidamide
CID 70094072
2-(4-nitrophenyl)sulfanyl-1,3-thiazole
CID 54190351
3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
CID 61219315
2-[4-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]phenyl]ethyl carbamimidothioate
CID 169053158
N-[[4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 55239074
benzenecarboximidamide;hydron;chloride
CID 66824376

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of 4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide (CID 61218361) is 4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Sc2nccs2)cc1.
What is the InChIKey of 4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is JYRQOYZTUBARSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c11-9(12)7-1-3-8(4-2-7)15-10-13-5-6-14-10/h1-6H,(H3,11,12).
What are the key properties of 4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 235.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 61218361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).