3-(1,3-thiazol-2-ylamino)propan-1-ol

C6H10N2OS — CID 29272316

IUPAC3-(1,3-thiazol-2-ylamino)propan-1-ol
SMILESOCCCNc1nccs1
InChIInChI=1S/C6H10N2OS/c9-4-1-2-7-6-8-3-5-10-6/h3,5,9H,1-2,4H2,(H,7,8)
InChIKeyMPHRNNZDAPEZRA-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.94
Rot. Bonds4

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

3-(1,3-thiazol-2-ylamino)propan-1-ol (PubChem CID 29272316) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylamino)propan-1-ol
PubChem CID29272316
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-(1,3-thiazol-2-ylamino)propan-1-ol
SMILESOCCCNc1nccs1
InChIInChI=1S/C6H10N2OS/c9-4-1-2-7-6-8-3-5-10-6/h3,5,9H,1-2,4H2,(H,7,8)
InChIKeyMPHRNNZDAPEZRA-UHFFFAOYSA-N
XLogP0.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.94
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-(1,3-thiazol-2-ylamino)propan-1-ol?
The IUPAC name of 3-(1,3-thiazol-2-ylamino)propan-1-ol (CID 29272316) is 3-(1,3-thiazol-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(1,3-thiazol-2-ylamino)propan-1-ol is OCCCNc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-ylamino)propan-1-ol?
The InChIKey is MPHRNNZDAPEZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c9-4-1-2-7-6-8-3-5-10-6/h3,5,9H,1-2,4H2,(H,7,8).
What are the key properties of 3-(1,3-thiazol-2-ylamino)propan-1-ol?
3-(1,3-thiazol-2-ylamino)propan-1-ol has a molecular weight of 158.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylamino)propan-1-ol is sourced from PubChem (CID 29272316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).