1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea

C17H21BrN4OS — CID 68641027

IUPAC1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2nc(C3CCCCC3)cs2)c(Br)cn1
InChIInChI=1S/C17H21BrN4OS/c1-2-19-17(23)22-15-8-12(13(18)9-20-15)16-21-14(10-24-16)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3,(H2,19,20,22,23)
InChIKeyWTFLLAQGSHWBSJ-UHFFFAOYSA-N
MW409.35 g/mol
LogP5.16
Rot. Bonds4

About 1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea

1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea (PubChem CID 68641027) has the molecular formula C17H21BrN4OS and a molecular weight of 409.35 g/mol. Its IUPAC name is 1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea
PubChem CID68641027
Molecular FormulaC17H21BrN4OS
Molecular Weight409.35 g/mol
Exact Mass408.06
IUPAC Name1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2nc(C3CCCCC3)cs2)c(Br)cn1
InChIInChI=1S/C17H21BrN4OS/c1-2-19-17(23)22-15-8-12(13(18)9-20-15)16-21-14(10-24-16)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3,(H2,19,20,22,23)
InChIKeyWTFLLAQGSHWBSJ-UHFFFAOYSA-N
XLogP5.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.35
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea 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 1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea?
The IUPAC name of 1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea (CID 68641027) is 1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea.
What is the SMILES notation for 1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea?
The canonical SMILES for 1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cc(-c2nc(C3CCCCC3)cs2)c(Br)cn1.
What is the InChIKey of 1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea?
The InChIKey is WTFLLAQGSHWBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4OS/c1-2-19-17(23)22-15-8-12(13(18)9-20-15)16-21-14(10-24-16)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3,(H2,19,20,22,23).
What are the key properties of 1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea?
1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea has a molecular weight of 409.35 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 68641027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).