(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

C24H29N5O4S — CID 24594840

About (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (PubChem CID 24594840) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
• PubChem CID: 24594840
• Molecular Formula: C24H29N5O4S
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.19
• IUPAC Name: (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
• SMILES: CCCCn1c(N)c(N(CC)C(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)c(=O)[nH]c1=O
• InChI: InChI=1S/C24H29N5O4S/c1-4-6-12-29-22(25)21(23(31)27-24(29)32)28(5-2)20(30)11-10-17-8-7-9-19(13-17)33-14-18-15-34-16(3)26-18/h7-11,13,15H,4-6,12,14,25H2,1-3H3,(H,27,31,32)/b11-10+
• InChIKey: VXGAGBJKYLGINF-ZHACJKMWSA-N
• XLogP: 3.33
• TPSA: 123.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The IUPAC name of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (CID 24594840) is (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

What is the SMILES notation for (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The canonical SMILES for (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is CCCCn1c(N)c(N(CC)C(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)c(=O)[nH]c1=O.

What is the InChIKey of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The InChIKey is VXGAGBJKYLGINF-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-4-6-12-29-22(25)21(23(31)27-24(29)32)28(5-2)20(30)11-10-17-8-7-9-19(13-17)33-14-18-15-34-16(3)26-18/h7-11,13,15H,4-6,12,14,25H2,1-3H3,(H,27,31,32)/b11-10+.

What are the key properties of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide has a molecular weight of 483.59 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 24594840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).