2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide

C21H26N4O3S — CID 71847235

IUPAC2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide
SMILESO=C(Cc1csc(N2CCCNC2=O)n1)NC1CCCC1OCc1ccccc1
InChIInChI=1S/C21H26N4O3S/c26-19(12-16-14-29-21(23-16)25-11-5-10-22-20(25)27)24-17-8-4-9-18(17)28-13-15-6-2-1-3-7-15/h1-3,6-7,14,17-18H,4-5,8-13H2,(H,22,27)(H,24,26)
InChIKeyTXYRXUJIVLQIOX-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.86
Rot. Bonds7

About 2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide

2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide (PubChem CID 71847235) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide
PubChem CID71847235
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide
SMILESO=C(Cc1csc(N2CCCNC2=O)n1)NC1CCCC1OCc1ccccc1
InChIInChI=1S/C21H26N4O3S/c26-19(12-16-14-29-21(23-16)25-11-5-10-22-20(25)27)24-17-8-4-9-18(17)28-13-15-6-2-1-3-7-15/h1-3,6-7,14,17-18H,4-5,8-13H2,(H,22,27)(H,24,26)
InChIKeyTXYRXUJIVLQIOX-UHFFFAOYSA-N
XLogP2.86
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide?
The IUPAC name of 2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide (CID 71847235) is 2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide.
What is the SMILES notation for 2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide?
The canonical SMILES for 2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide is O=C(Cc1csc(N2CCCNC2=O)n1)NC1CCCC1OCc1ccccc1.
What is the InChIKey of 2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide?
The InChIKey is TXYRXUJIVLQIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c26-19(12-16-14-29-21(23-16)25-11-5-10-22-20(25)27)24-17-8-4-9-18(17)28-13-15-6-2-1-3-7-15/h1-3,6-7,14,17-18H,4-5,8-13H2,(H,22,27)(H,24,26).
What are the key properties of 2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide?
2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide has a molecular weight of 414.53 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide is sourced from PubChem (CID 71847235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).