1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine

C10H16N4S2 — CID 111466000

IUPAC1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
SMILESN/C(=N\CCCSc1nccs1)NC1CC1
InChIInChI=1S/C10H16N4S2/c11-9(14-8-2-3-8)12-4-1-6-15-10-13-5-7-16-10/h5,7-8H,1-4,6H2,(H3,11,12,14)
InChIKeyYGKLPCULMJLSSD-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.69
Rot. Bonds6

About 1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine

1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine (PubChem CID 111466000) has the molecular formula C10H16N4S2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
PubChem CID111466000
Molecular FormulaC10H16N4S2
Molecular Weight256.40 g/mol
Exact Mass256.08
IUPAC Name1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
SMILESN/C(=N\CCCSc1nccs1)NC1CC1
InChIInChI=1S/C10H16N4S2/c11-9(14-8-2-3-8)12-4-1-6-15-10-13-5-7-16-10/h5,7-8H,1-4,6H2,(H3,11,12,14)
InChIKeyYGKLPCULMJLSSD-UHFFFAOYSA-N
XLogP1.69
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111465994
1-(3,5-dimethylphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111812284
1-(2-methoxyethyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine;hydroiodide
CID 111465987
4-methyl-N'-[3-(1,3-thiazol-2-ylsulfanyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111465995
1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111812274
1-(4-propan-2-yloxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111812250
1-(4-propan-2-yloxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine;hydroiodide
CID 111812249
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
3-methyl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]cyclopentan-1-amine
CID 115684406
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406
2-methyl-1-(1-propan-2-ylpiperidin-4-yl)-3-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111830421
2-(2-methylprop-2-enyl)-1-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111812278

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine (CID 111466000) is 1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine is N/C(=N\CCCSc1nccs1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine?
The InChIKey is YGKLPCULMJLSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S2/c11-9(14-8-2-3-8)12-4-1-6-15-10-13-5-7-16-10/h5,7-8H,1-4,6H2,(H3,11,12,14).
What are the key properties of 1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine?
1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine has a molecular weight of 256.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine is sourced from PubChem (CID 111466000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).