2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol

C7H12N2OS — CID 12071469

IUPAC2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol
SMILESCCNc1nc(CCO)cs1
InChIInChI=1S/C7H12N2OS/c1-2-8-7-9-6(3-4-10)5-11-7/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyKBXMURKSBSADBQ-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.11
Rot. Bonds4

About 2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol

2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol (PubChem CID 12071469) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol
PubChem CID12071469
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol
SMILESCCNc1nc(CCO)cs1
InChIInChI=1S/C7H12N2OS/c1-2-8-7-9-6(3-4-10)5-11-7/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyKBXMURKSBSADBQ-UHFFFAOYSA-N
XLogP1.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol (CID 12071469) is 2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol is CCNc1nc(CCO)cs1.
What is the InChIKey of 2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol?
The InChIKey is KBXMURKSBSADBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-8-7-9-6(3-4-10)5-11-7/h5,10H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol?
2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol has a molecular weight of 172.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 12071469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).