4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol

C9H16N2OS — CID 106842633

IUPAC4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
SMILESCCc1csc(NCCCCO)n1
InChIInChI=1S/C9H16N2OS/c1-2-8-7-13-9(11-8)10-5-3-4-6-12/h7,12H,2-6H2,1H3,(H,10,11)
InChIKeyRMWITVATFWBKPL-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.89
Rot. Bonds6

About 4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol

4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol (PubChem CID 106842633) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
PubChem CID106842633
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
SMILESCCc1csc(NCCCCO)n1
InChIInChI=1S/C9H16N2OS/c1-2-8-7-13-9(11-8)10-5-3-4-6-12/h7,12H,2-6H2,1H3,(H,10,11)
InChIKeyRMWITVATFWBKPL-UHFFFAOYSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.89
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 4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol (CID 106842633) is 4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol is CCc1csc(NCCCCO)n1.
What is the InChIKey of 4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol?
The InChIKey is RMWITVATFWBKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-2-8-7-13-9(11-8)10-5-3-4-6-12/h7,12H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol?
4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol is sourced from PubChem (CID 106842633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).