2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol

C14H18N2O2S — CID 125472013

IUPAC2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol
SMILESCc1nc(-c2ccc(N(CCO)CCO)cc2)cs1
InChIInChI=1S/C14H18N2O2S/c1-11-15-14(10-19-11)12-2-4-13(5-3-12)16(6-8-17)7-9-18/h2-5,10,17-18H,6-9H2,1H3
InChIKeyIYSWLDSZGQZACG-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.91
Rot. Bonds6

About 2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol

2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol (PubChem CID 125472013) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol
PubChem CID125472013
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol
SMILESCc1nc(-c2ccc(N(CCO)CCO)cc2)cs1
InChIInChI=1S/C14H18N2O2S/c1-11-15-14(10-19-11)12-2-4-13(5-3-12)16(6-8-17)7-9-18/h2-5,10,17-18H,6-9H2,1H3
InChIKeyIYSWLDSZGQZACG-UHFFFAOYSA-N
XLogP1.91
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol (CID 125472013) is 2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol is Cc1nc(-c2ccc(N(CCO)CCO)cc2)cs1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol?
The InChIKey is IYSWLDSZGQZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11-15-14(10-19-11)12-2-4-13(5-3-12)16(6-8-17)7-9-18/h2-5,10,17-18H,6-9H2,1H3.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol?
2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol has a molecular weight of 278.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol is sourced from PubChem (CID 125472013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).