2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine

C10H19N5S — CID 23330855

IUPAC2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine
SMILESNCCCCCCc1csc(N=C(N)N)n1
InChIInChI=1S/C10H19N5S/c11-6-4-2-1-3-5-8-7-16-10(14-8)15-9(12)13/h7H,1-6,11H2,(H4,12,13,14,15)
InChIKeyBNJNKQKMZVNLIO-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.11
Rot. Bonds7

About 2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine

2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 23330855) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine
PubChem CID23330855
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine
SMILESNCCCCCCc1csc(N=C(N)N)n1
InChIInChI=1S/C10H19N5S/c11-6-4-2-1-3-5-8-7-16-10(14-8)15-9(12)13/h7H,1-6,11H2,(H4,12,13,14,15)
InChIKeyBNJNKQKMZVNLIO-UHFFFAOYSA-N
XLogP1.11
TPSA103.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine (CID 23330855) is 2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine is NCCCCCCc1csc(N=C(N)N)n1.
What is the InChIKey of 2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is BNJNKQKMZVNLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c11-6-4-2-1-3-5-8-7-16-10(14-8)15-9(12)13/h7H,1-6,11H2,(H4,12,13,14,15).
What are the key properties of 2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 241.36 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-aminohexyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 23330855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).