1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea

Name: 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₇N₃O₂S — CID 60569804

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea

SMILESCC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccs1

InChIInChI=1S/C16H17N3O2S/c1-11(2)21-15-6-5-12(9-17)8-14(15)19-16(20)18-10-13-4-3-7-22-13/h3-8,11H,10H2,1-2H3,(H2,18,19,20)

InChIKeyJOYMEKJDIXYJRP-UHFFFAOYSA-N

MW315.40 g/mol

LogP3.73

Rot. Bonds5

About 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea

1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 60569804) has the molecular formula C₁₆H₁₇N₃O₂S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name	1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID	60569804
Molecular Formula	C₁₆H₁₇N₃O₂S
Molecular Weight	315.40 g/mol
Exact Mass	315.10
IUPAC Name	1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
SMILES	CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccs1
InChI	InChI=1S/C16H17N3O2S/c1-11(2)21-15-6-5-12(9-17)8-14(15)19-16(20)18-10-13-4-3-7-22-13/h3-8,11H,10H2,1-2H3,(H2,18,19,20)
InChIKey	JOYMEKJDIXYJRP-UHFFFAOYSA-N
XLogP	3.73
TPSA	74.15 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.40
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?

The IUPAC name of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea (CID 60569804) is 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea.

What is the SMILES notation for 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?

The canonical SMILES for 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea is CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccs1.

What is the InChIKey of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?

The InChIKey is JOYMEKJDIXYJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11(2)21-15-6-5-12(9-17)8-14(15)19-16(20)18-10-13-4-3-7-22-13/h3-8,11H,10H2,1-2H3,(H2,18,19,20).

What are the key properties of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?

1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 315.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 60569804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 60569804 — identifiers, structure, computed properties (public domain)

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