1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea

C15H19N3OS — CID 84516254

IUPAC1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3OS/c1-11(2)17-15(19)16-9-8-13-10-20-14(18-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,16,17,19)
InChIKeyMQFICNSQTZTPSI-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.06
Rot. Bonds5

About 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea

1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea (PubChem CID 84516254) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
PubChem CID84516254
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3OS/c1-11(2)17-15(19)16-9-8-13-10-20-14(18-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,16,17,19)
InChIKeyMQFICNSQTZTPSI-UHFFFAOYSA-N
XLogP3.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea (CID 84516254) is 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is MQFICNSQTZTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(2)17-15(19)16-9-8-13-10-20-14(18-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea?
1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 289.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 84516254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).