1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea

C18H22FN3O2S — CID 178134723

About 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea

1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea (PubChem CID 178134723) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea.

Molecular Properties

• Compound Name: 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea
• PubChem CID: 178134723
• Molecular Formula: C18H22FN3O2S
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.14
• IUPAC Name: 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea
• SMILES: C[C@H](NC(=O)Nc1csc(-c2ccc(C(C)(C)O)c(F)c2)n1)C1CC1
• InChI: InChI=1S/C18H22FN3O2S/c1-10(11-4-5-11)20-17(23)22-15-9-25-16(21-15)12-6-7-13(14(19)8-12)18(2,3)24/h6-11,24H,4-5H2,1-3H3,(H2,20,22,23)/t10-/m0/s1
• InChIKey: IYASMSDRVSEVPB-JTQLQIEISA-N
• XLogP: 4.10
• TPSA: 74.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea?

The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea (CID 178134723) is 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea.

What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea?

The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea is C[C@H](NC(=O)Nc1csc(-c2ccc(C(C)(C)O)c(F)c2)n1)C1CC1.

What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea?

The InChIKey is IYASMSDRVSEVPB-JTQLQIEISA-N. The full InChI is InChI=1S/C18H22FN3O2S/c1-10(11-4-5-11)20-17(23)22-15-9-25-16(21-15)12-6-7-13(14(19)8-12)18(2,3)24/h6-11,24H,4-5H2,1-3H3,(H2,20,22,23)/t10-/m0/s1.

What are the key properties of 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea?

1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea has a molecular weight of 363.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-cyclopropylethyl]-3-[2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]urea is sourced from PubChem (CID 178134723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).