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

C8H15N5S — CID 20518172

IUPAC2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine
SMILESNCCCCc1csc(N=C(N)N)n1
InChIInChI=1S/C8H15N5S/c9-4-2-1-3-6-5-14-8(12-6)13-7(10)11/h5H,1-4,9H2,(H4,10,11,12,13)
InChIKeySLKRPKDOFFHSCW-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.33
Rot. Bonds5

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

2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 20518172) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine
PubChem CID20518172
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine
SMILESNCCCCc1csc(N=C(N)N)n1
InChIInChI=1S/C8H15N5S/c9-4-2-1-3-6-5-14-8(12-6)13-7(10)11/h5H,1-4,9H2,(H4,10,11,12,13)
InChIKeySLKRPKDOFFHSCW-UHFFFAOYSA-N
XLogP0.33
TPSA103.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.33
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-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine (CID 20518172) is 2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine is NCCCCc1csc(N=C(N)N)n1.
What is the InChIKey of 2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is SLKRPKDOFFHSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c9-4-2-1-3-6-5-14-8(12-6)13-7(10)11/h5H,1-4,9H2,(H4,10,11,12,13).
What are the key properties of 2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 213.31 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminobutyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 20518172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).