1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea

C14H17N3O2S — CID 47363829

IUPAC1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESCCN(C(=O)Nc1nccs1)C(C)c1cccc(O)c1
InChIInChI=1S/C14H17N3O2S/c1-3-17(14(19)16-13-15-7-8-20-13)10(2)11-5-4-6-12(18)9-11/h4-10,18H,3H2,1-2H3,(H,15,16,19)
InChIKeyAXEKFDXFCMVXNC-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.46
Rot. Bonds4

About 1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea

1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 47363829) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID47363829
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESCCN(C(=O)Nc1nccs1)C(C)c1cccc(O)c1
InChIInChI=1S/C14H17N3O2S/c1-3-17(14(19)16-13-15-7-8-20-13)10(2)11-5-4-6-12(18)9-11/h4-10,18H,3H2,1-2H3,(H,15,16,19)
InChIKeyAXEKFDXFCMVXNC-UHFFFAOYSA-N
XLogP3.46
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea (CID 47363829) is 1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea is CCN(C(=O)Nc1nccs1)C(C)c1cccc(O)c1.
What is the InChIKey of 1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is AXEKFDXFCMVXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-17(14(19)16-13-15-7-8-20-13)10(2)11-5-4-6-12(18)9-11/h4-10,18H,3H2,1-2H3,(H,15,16,19).
What are the key properties of 1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 291.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47363829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).