1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea

C14H21N5OS — CID 97219054

About 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea

1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea (PubChem CID 97219054) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea
• PubChem CID: 97219054
• Molecular Formula: C14H21N5OS
• Molecular Weight: 307.42 g/mol
• Exact Mass: 307.15
• IUPAC Name: 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea
• SMILES: Cc1cnc(CNC(=O)N[C@H](C)c2cnn(C(C)C)c2)s1
• InChI: InChI=1S/C14H21N5OS/c1-9(2)19-8-12(6-17-19)11(4)18-14(20)16-7-13-15-5-10(3)21-13/h5-6,8-9,11H,7H2,1-4H3,(H2,16,18,20)/t11-/m1/s1
• InChIKey: LULUXZCUYPAQTI-LLVKDONJSA-N
• XLogP: 2.79
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.42
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea?

The IUPAC name of 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea (CID 97219054) is 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea.

What is the SMILES notation for 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea?

The canonical SMILES for 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea is Cc1cnc(CNC(=O)N[C@H](C)c2cnn(C(C)C)c2)s1.

What is the InChIKey of 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea?

The InChIKey is LULUXZCUYPAQTI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-9(2)19-8-12(6-17-19)11(4)18-14(20)16-7-13-15-5-10(3)21-13/h5-6,8-9,11H,7H2,1-4H3,(H2,16,18,20)/t11-/m1/s1.

What are the key properties of 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea?

1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea has a molecular weight of 307.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 97219054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).