3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol

C6H11N3OS — CID 87787723

IUPAC3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
SMILESNc1cnc(NCCCO)s1
InChIInChI=1S/C6H11N3OS/c7-5-4-9-6(11-5)8-2-1-3-10/h4,10H,1-3,7H2,(H,8,9)
InChIKeyCEAQKWYCRGQPCZ-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.52
Rot. Bonds4

About 3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol

3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol (PubChem CID 87787723) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
PubChem CID87787723
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
SMILESNc1cnc(NCCCO)s1
InChIInChI=1S/C6H11N3OS/c7-5-4-9-6(11-5)8-2-1-3-10/h4,10H,1-3,7H2,(H,8,9)
InChIKeyCEAQKWYCRGQPCZ-UHFFFAOYSA-N
XLogP0.52
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol (CID 87787723) is 3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol is Nc1cnc(NCCCO)s1.
What is the InChIKey of 3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol?
The InChIKey is CEAQKWYCRGQPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c7-5-4-9-6(11-5)8-2-1-3-10/h4,10H,1-3,7H2,(H,8,9).
What are the key properties of 3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol?
3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol has a molecular weight of 173.24 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 87787723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).