1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide

C24H37N5O2S — CID 68620674

About 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide

1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide (PubChem CID 68620674) has the molecular formula C24H37N5O2S and a molecular weight of 459.66 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide
• PubChem CID: 68620674
• Molecular Formula: C24H37N5O2S
• Molecular Weight: 459.66 g/mol
• Exact Mass: 459.27
• IUPAC Name: 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide
• SMILES: CC(C)(C)c1cc(C(=O)/N=c2/sc(C(C)(C)C)cn2C[C@H]2CCCO2)n(CC2CNC2)n1
• InChI: InChI=1S/C24H37N5O2S/c1-23(2,3)19-10-18(29(27-19)13-16-11-25-12-16)21(30)26-22-28(14-17-8-7-9-31-17)15-20(32-22)24(4,5)6/h10,15-17,25H,7-9,11-14H2,1-6H3/b26-22+/t17-/m1/s1
• InChIKey: QQAIMDYOSSYURA-JMBSQFONSA-N
• XLogP: 3.48
• TPSA: 73.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.66
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide?

The IUPAC name of 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide (CID 68620674) is 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide.

What is the SMILES notation for 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide?

The canonical SMILES for 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide is CC(C)(C)c1cc(C(=O)/N=c2/sc(C(C)(C)C)cn2C[C@H]2CCCO2)n(CC2CNC2)n1.

What is the InChIKey of 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide?

The InChIKey is QQAIMDYOSSYURA-JMBSQFONSA-N. The full InChI is InChI=1S/C24H37N5O2S/c1-23(2,3)19-10-18(29(27-19)13-16-11-25-12-16)21(30)26-22-28(14-17-8-7-9-31-17)15-20(32-22)24(4,5)6/h10,15-17,25H,7-9,11-14H2,1-6H3/b26-22+/t17-/m1/s1.

What are the key properties of 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide?

1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide has a molecular weight of 459.66 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azetidin-3-ylmethyl)-3-tert-butyl-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]pyrazole-5-carboxamide is sourced from PubChem (CID 68620674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).