N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide

C18H22N4O2S2 — CID 123520437

About N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide

N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 123520437) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 123520437
• Molecular Formula: C18H22N4O2S2
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.12
• IUPAC Name: N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
• SMILES: NC(=O)CCCCNC(=O)c1nc(-c2nc3c(s2)CCC3)sc1C1CC1
• InChI: InChI=1S/C18H22N4O2S2/c19-13(23)6-1-2-9-20-16(24)14-15(10-7-8-10)26-18(22-14)17-21-11-4-3-5-12(11)25-17/h10H,1-9H2,(H2,19,23)(H,20,24)
• InChIKey: RLKBIXRRDJWLGI-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 97.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 123520437) is N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide is NC(=O)CCCCNC(=O)c1nc(-c2nc3c(s2)CCC3)sc1C1CC1.

What is the InChIKey of N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is RLKBIXRRDJWLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c19-13(23)6-1-2-9-20-16(24)14-15(10-7-8-10)26-18(22-14)17-21-11-4-3-5-12(11)25-17/h10H,1-9H2,(H2,19,23)(H,20,24).

What are the key properties of N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?

N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-amino-5-oxopentyl)-5-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123520437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).