(1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate

C23H24ClN5O3S — CID 68634079

About (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate

(1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate (PubChem CID 68634079) has the molecular formula C23H24ClN5O3S and a molecular weight of 486.00 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate
• PubChem CID: 68634079
• Molecular Formula: C23H24ClN5O3S
• Molecular Weight: 486.00 g/mol
• Exact Mass: 485.13
• IUPAC Name: (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate
• SMILES: Cc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2cn(C)nc2C)c(-c2cccc(Cl)c2)s1
• InChI: InChI=1S/C23H24ClN5O3S/c1-12-19(11-28(3)27-12)32-23(31)25-9-18-17-8-15(17)10-29(18)22(30)20-21(33-13(2)26-20)14-5-4-6-16(24)7-14/h4-7,11,15,17-18H,8-10H2,1-3H3,(H,25,31)/t15-,17-,18+/m0/s1
• InChIKey: OFEYMKFNEPKFEM-RYQLBKOJSA-N
• XLogP: 4.06
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.00
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate?

The IUPAC name of (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate (CID 68634079) is (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate.

What is the SMILES notation for (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate?

The canonical SMILES for (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate is Cc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2cn(C)nc2C)c(-c2cccc(Cl)c2)s1.

What is the InChIKey of (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate?

The InChIKey is OFEYMKFNEPKFEM-RYQLBKOJSA-N. The full InChI is InChI=1S/C23H24ClN5O3S/c1-12-19(11-28(3)27-12)32-23(31)25-9-18-17-8-15(17)10-29(18)22(30)20-21(33-13(2)26-20)14-5-4-6-16(24)7-14/h4-7,11,15,17-18H,8-10H2,1-3H3,(H,25,31)/t15-,17-,18+/m0/s1.

What are the key properties of (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate?

(1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate has a molecular weight of 486.00 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1,3-dimethylpyrazol-4-yl) N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate is sourced from PubChem (CID 68634079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).