2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine

C7H13N5S2 — CID 57174410

IUPAC2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine
SMILESNCCC(S)c1csc(N=C(N)N)n1
InChIInChI=1S/C7H13N5S2/c8-2-1-5(13)4-3-14-7(11-4)12-6(9)10/h3,5,13H,1-2,8H2,(H4,9,10,11,12)
InChIKeyXCSJZRLGUVOUCL-UHFFFAOYSA-N
MW231.35 g/mol
LogP0.37
Rot. Bonds4

About 2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine

2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 57174410) has the molecular formula C7H13N5S2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine
PubChem CID57174410
Molecular FormulaC7H13N5S2
Molecular Weight231.35 g/mol
Exact Mass231.06
IUPAC Name2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine
SMILESNCCC(S)c1csc(N=C(N)N)n1
InChIInChI=1S/C7H13N5S2/c8-2-1-5(13)4-3-14-7(11-4)12-6(9)10/h3,5,13H,1-2,8H2,(H4,9,10,11,12)
InChIKeyXCSJZRLGUVOUCL-UHFFFAOYSA-N
XLogP0.37
TPSA103.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine (CID 57174410) is 2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine is NCCC(S)c1csc(N=C(N)N)n1.
What is the InChIKey of 2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is XCSJZRLGUVOUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S2/c8-2-1-5(13)4-3-14-7(11-4)12-6(9)10/h3,5,13H,1-2,8H2,(H4,9,10,11,12).
What are the key properties of 2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 231.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 57174410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).