ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane

C30H42F3N5O5S — CID 176997973

About ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane

ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane (PubChem CID 176997973) has the molecular formula C30H42F3N5O5S and a molecular weight of 641.76 g/mol. Its IUPAC name is ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane.

Molecular Properties

• Compound Name: ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane
• PubChem CID: 176997973
• Molecular Formula: C30H42F3N5O5S
• Molecular Weight: 641.76 g/mol
• Exact Mass: 641.29
• IUPAC Name: ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane
• SMILES: CC.CC(C)NC(=O)OC1CCC(c2cc(NC=O)n[nH]2)C1.CCC(F)(F)F.CCc1cnc(-c2cccc(O)c2C=O)s1
• InChI: InChI=1S/C13H20N4O3.C12H11NO2S.C3H5F3.C2H6/c1-8(2)15-13(19)20-10-4-3-9(5-10)11-6-12(14-7-18)17-16-11;1-2-8-6-13-12(16-8)9-4-3-5-11(15)10(9)7-14;1-2-3(4,5)6;1-2/h6-10H,3-5H2,1-2H3,(H,15,19)(H2,14,16,17,18);3-7,15H,2H2,1H3;2H2,1H3;1-2H3
• InChIKey: QZMBSDANSZAYJW-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 146.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.76
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane?

The IUPAC name of ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane (CID 176997973) is ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane.

What is the SMILES notation for ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane?

The canonical SMILES for ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane is CC.CC(C)NC(=O)OC1CCC(c2cc(NC=O)n[nH]2)C1.CCC(F)(F)F.CCc1cnc(-c2cccc(O)c2C=O)s1.

What is the InChIKey of ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane?

The InChIKey is QZMBSDANSZAYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3.C12H11NO2S.C3H5F3.C2H6/c1-8(2)15-13(19)20-10-4-3-9(5-10)11-6-12(14-7-18)17-16-11;1-2-8-6-13-12(16-8)9-4-3-5-11(15)10(9)7-14;1-2-3(4,5)6;1-2/h6-10H,3-5H2,1-2H3,(H,15,19)(H2,14,16,17,18);3-7,15H,2H2,1H3;2H2,1H3;1-2H3.

What are the key properties of ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane?

ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane has a molecular weight of 641.76 g/mol, XLogP of 7.62, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-(5-ethyl-1,3-thiazol-2-yl)-6-hydroxybenzaldehyde;[3-(3-formamido-1H-pyrazol-5-yl)cyclopentyl] N-propan-2-ylcarbamate;1,1,1-trifluoropropane is sourced from PubChem (CID 176997973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).