3-(1,3-thiazol-2-ylsulfanyl)butanimidamide

C7H11N3S2 — CID 61219315

IUPAC3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1nccs1
InChIInChI=1S/C7H11N3S2/c1-5(4-6(8)9)12-7-10-2-3-11-7/h2-3,5H,4H2,1H3,(H3,8,9)
InChIKeyYGSZTWDSPUHEEP-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.95
Rot. Bonds4

About 3-(1,3-thiazol-2-ylsulfanyl)butanimidamide

3-(1,3-thiazol-2-ylsulfanyl)butanimidamide (PubChem CID 61219315) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylsulfanyl)butanimidamide.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
PubChem CID61219315
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC Name3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1nccs1
InChIInChI=1S/C7H11N3S2/c1-5(4-6(8)9)12-7-10-2-3-11-7/h2-3,5H,4H2,1H3,(H3,8,9)
InChIKeyYGSZTWDSPUHEEP-UHFFFAOYSA-N
XLogP1.95
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.95
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

N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
CID 61218176
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanimidamide
CID 60913514
3-phenylsulfanylbutanimidamide
CID 60915236
4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide
CID 63581257
2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine
CID 62580662
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922920
3-(2-fluorophenyl)sulfanylbutanimidamide
CID 60912658
3-(2-methoxyphenyl)sulfanylbutanimidamide
CID 61291684
3-(4-methoxyphenyl)sulfanylbutanimidamide
CID 60913001
3-(2,5-dichlorophenyl)sulfanylbutanimidamide
CID 60912657
N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine
CID 62581020
1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 64628516

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylsulfanyl)butanimidamide?
The IUPAC name of 3-(1,3-thiazol-2-ylsulfanyl)butanimidamide (CID 61219315) is 3-(1,3-thiazol-2-ylsulfanyl)butanimidamide.
What is the SMILES notation for 3-(1,3-thiazol-2-ylsulfanyl)butanimidamide?
The canonical SMILES for 3-(1,3-thiazol-2-ylsulfanyl)butanimidamide is [H]/N=C(\N)CC(C)Sc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-ylsulfanyl)butanimidamide?
The InChIKey is YGSZTWDSPUHEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-5(4-6(8)9)12-7-10-2-3-11-7/h2-3,5H,4H2,1H3,(H3,8,9).
What are the key properties of 3-(1,3-thiazol-2-ylsulfanyl)butanimidamide?
3-(1,3-thiazol-2-ylsulfanyl)butanimidamide has a molecular weight of 201.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylsulfanyl)butanimidamide is sourced from PubChem (CID 61219315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).