3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol

C6H12N2OS — CID 12064674

IUPAC3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol
SMILESOCCCNC1=NCCS1
InChIInChI=1S/C6H12N2OS/c9-4-1-2-7-6-8-3-5-10-6/h9H,1-5H2,(H,7,8)
InChIKeyUNCVEVJDCRQKPF-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.06
Rot. Bonds3

About 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol

3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol (PubChem CID 12064674) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol
PubChem CID12064674
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol
SMILESOCCCNC1=NCCS1
InChIInChI=1S/C6H12N2OS/c9-4-1-2-7-6-8-3-5-10-6/h9H,1-5H2,(H,7,8)
InChIKeyUNCVEVJDCRQKPF-UHFFFAOYSA-N
XLogP0.06
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol?
The IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol (CID 12064674) is 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol is OCCCNC1=NCCS1.
What is the InChIKey of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol?
The InChIKey is UNCVEVJDCRQKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c9-4-1-2-7-6-8-3-5-10-6/h9H,1-5H2,(H,7,8).
What are the key properties of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol?
3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol has a molecular weight of 160.24 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propan-1-ol is sourced from PubChem (CID 12064674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).