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

C18H28N6OS — CID 97344399

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

1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea (PubChem CID 97344399) has the molecular formula C18H28N6OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
• PubChem CID: 97344399
• Molecular Formula: C18H28N6OS
• Molecular Weight: 376.53 g/mol
• Exact Mass: 376.20
• IUPAC Name: 1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
• SMILES: CCNC(=O)Nc1cn[nH]c1[C@@H]1CCCN(Cc2csc(C(C)C)n2)C1
• InChI: InChI=1S/C18H28N6OS/c1-4-19-18(25)22-15-8-20-23-16(15)13-6-5-7-24(9-13)10-14-11-26-17(21-14)12(2)3/h8,11-13H,4-7,9-10H2,1-3H3,(H,20,23)(H2,19,22,25)/t13-/m1/s1
• InChIKey: FORUHNGJXQRYCH-CYBMUJFWSA-N
• XLogP: 3.51
• TPSA: 85.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.53
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea (CID 97344399) is 1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea.

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

The canonical SMILES for 1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea is CCNC(=O)Nc1cn[nH]c1[C@@H]1CCCN(Cc2csc(C(C)C)n2)C1.

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

The InChIKey is FORUHNGJXQRYCH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H28N6OS/c1-4-19-18(25)22-15-8-20-23-16(15)13-6-5-7-24(9-13)10-14-11-26-17(21-14)12(2)3/h8,11-13H,4-7,9-10H2,1-3H3,(H,20,23)(H2,19,22,25)/t13-/m1/s1.

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

1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea has a molecular weight of 376.53 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 97344399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).